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

C10H18N2O — CID 143839300

IUPAC(3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C10H18N2O/c1-11(2)10(13)12-6-8-4-3-5-9(8)7-12/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKeyCKJKAXBWBUBBKI-DTORHVGOSA-N
MW182.27 g/mol
LogP1.40
Rot. Bonds

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

(3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 143839300) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID143839300
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCN(C)C(=O)N1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C10H18N2O/c1-11(2)10(13)12-6-8-4-3-5-9(8)7-12/h8-9H,3-7H2,1-2H3/t8-,9+
InChIKeyCKJKAXBWBUBBKI-DTORHVGOSA-N
XLogP1.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 143839300) is (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CN(C)C(=O)N1C[C@H]2CCC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is CKJKAXBWBUBBKI-DTORHVGOSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11(2)10(13)12-6-8-4-3-5-9(8)7-12/h8-9H,3-7H2,1-2H3/t8-,9+.
What are the key properties of (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 143839300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).