(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C12H20N2O2 — CID 143839302

IUPAC(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCCCN(C)C(=O)N1C[C@H]2CC(=O)C[C@H]2C1
InChIInChI=1S/C12H20N2O2/c1-3-4-13(2)12(16)14-7-9-5-11(15)6-10(9)8-14/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyQIXNFJOHGUWPRO-AOOOYVTPSA-N
MW224.30 g/mol
LogP1.36
Rot. Bonds2

About (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 143839302) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID143839302
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCCCN(C)C(=O)N1C[C@H]2CC(=O)C[C@H]2C1
InChIInChI=1S/C12H20N2O2/c1-3-4-13(2)12(16)14-7-9-5-11(15)6-10(9)8-14/h9-10H,3-8H2,1-2H3/t9-,10+
InChIKeyQIXNFJOHGUWPRO-AOOOYVTPSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 143839302) is (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is CCCN(C)C(=O)N1C[C@H]2CC(=O)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is QIXNFJOHGUWPRO-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-13(2)12(16)14-7-9-5-11(15)6-10(9)8-14/h9-10H,3-8H2,1-2H3/t9-,10+.
What are the key properties of (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-methyl-5-oxo-N-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 143839302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).