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

C12H22N2O — CID 120679184

IUPAC(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESCCN(CC)C(=O)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C12H22N2O/c1-3-14(4-2)11(15)12-7-5-6-10(12)8-13-9-12/h10,13H,3-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyZQTODLHFWYSAFA-ZYHUDNBSSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds3

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

(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (PubChem CID 120679184) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
PubChem CID120679184
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
SMILESCCN(CC)C(=O)[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C12H22N2O/c1-3-14(4-2)11(15)12-7-5-6-10(12)8-13-9-12/h10,13H,3-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyZQTODLHFWYSAFA-ZYHUDNBSSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide (CID 120679184) is (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is CCN(CC)C(=O)[C@@]12CCC[C@@H]1CNC2.
What is the InChIKey of (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
The InChIKey is ZQTODLHFWYSAFA-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-14(4-2)11(15)12-7-5-6-10(12)8-13-9-12/h10,13H,3-9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide?
(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide is sourced from PubChem (CID 120679184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).