(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide

C11H20N2O — CID 130610210

IUPAC(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESCCCNC(=O)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C11H20N2O/c1-2-6-13-10(14)11-5-3-4-9(11)7-12-8-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyJHAYHMGKBBAWAK-MWLCHTKSSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds3

About (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide

(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (PubChem CID 130610210) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
PubChem CID130610210
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESCCCNC(=O)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C11H20N2O/c1-2-6-13-10(14)11-5-3-4-9(11)7-12-8-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyJHAYHMGKBBAWAK-MWLCHTKSSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679190
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679184
(3aS,7aS)-N-[2-(methylamino)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154844880
(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride
CID 120679187
(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010042
(3aS,7aS)-N-[2-(4-ethoxyphenyl)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138011625
(3aS,7aR)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxamide
CID 137064266
(3aS,7aS)-N-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
CID 19833400
(3aS,7aS)-N-[(4-aminooxan-4-yl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154807805
(1R,5R)-N-[(3-bromo-2-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-1-carboxamide
CID 138012065

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (CID 130610210) is (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is CCCNC(=O)[C@@]12CCC[C@@H]1CNC2.
What is the InChIKey of (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The InChIKey is JHAYHMGKBBAWAK-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-6-13-10(14)11-5-3-4-9(11)7-12-8-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-,11-/m1/s1.
What are the key properties of (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is sourced from PubChem (CID 130610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).