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

C12H20N2O — CID 120679190

IUPAC(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESO=C(NCC1CC1)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C12H20N2O/c15-11(14-6-9-3-4-9)12-5-1-2-10(12)7-13-8-12/h9-10,13H,1-8H2,(H,14,15)/t10-,12-/m1/s1
InChIKeyUXEZDXIAPXRQLV-ZYHUDNBSSA-N
MW208.30 g/mol
LogP0.90
Rot. Bonds3

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

(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (PubChem CID 120679190) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
PubChem CID120679190
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESO=C(NCC1CC1)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C12H20N2O/c15-11(14-6-9-3-4-9)12-5-1-2-10(12)7-13-8-12/h9-10,13H,1-8H2,(H,14,15)/t10-,12-/m1/s1
InChIKeyUXEZDXIAPXRQLV-ZYHUDNBSSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 130610210
(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679184
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
(3aS,7aS)-N-[(1-methylcyclopentyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138010042
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(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-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (CID 120679190) is (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is O=C(NCC1CC1)[C@@]12CCC[C@@H]1CNC2.
What is the InChIKey of (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The InChIKey is UXEZDXIAPXRQLV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H20N2O/c15-11(14-6-9-3-4-9)12-5-1-2-10(12)7-13-8-12/h9-10,13H,1-8H2,(H,14,15)/t10-,12-/m1/s1.
What are the key properties of (3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide has a molecular weight of 208.30 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-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is sourced from PubChem (CID 120679190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).