| CAS Number | 473733-94-7 |
| Catalog Number | AG00I8MX(AGN-PC-00UX9R) |
| Chemical Name | 1-[(1-Methyl-1h-pyrrol-2-yl)carbonyl]piperazine |
| IUPAC Name | (1-methylpyrrol-2-yl)-piperazin-1-ylmethanone |
| InChI | InChI=1S/C10H15N3O/c1-12-6-2-3-9(12)10(14)13-7-4-11-5-8-13/h2-3,6,11H,4-5,7-8H2,1H3 |
| InChI Key | DTSCVYQDGZJOEN-UHFFFAOYSA-N |
| MDL Number | MFCD08444261 |
| Molecular Formula | C10H15N3O |
| Molecular Weight | 193.2456 |
| SMILES | CN1C(C(N2CCNCC2)=O)=CC=C1 |
| Synonyms | 1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]piperazine,
473733-94-7,
ZINC9494322,
MFCD08444261,
AKOS000119264,
MCULE-9108070031,
NE59386,
SMR003523790,
EN300-24443,
Piperazine, 1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-,
1-(1-methyl-1H-pyrrole-2-carbonyl)piperazine,
(1-Methyl-1H-pyrrol-2-yl)(piperazin-1-yl)methanone,
(1-methyl-1H-pyrrol-2-yl)-piperazin-1-yl-methanone,
AC1Q3YWK,
MLS004820218,
SCHEMBL1903887,
CTK6I2690,
DTSCVYQDGZJOEN-UHFFFAOYSA-N,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.25g/mol |
| Monoisotopic Mass | 193.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number