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

C11H20N2O — CID 89010469

IUPAC(3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1
InChIInChI=1S/C11H20N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+
InChIKeyBFPDTCJXRUOJAC-PBINXNQUSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds

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

(3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 89010469) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID89010469
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1
InChIInChI=1S/C11H20N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+
InChIKeyBFPDTCJXRUOJAC-PBINXNQUSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 89010469) is (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is BFPDTCJXRUOJAC-PBINXNQUSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-4-9-6-13(7-10(9)5-8)11(14)12(2)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+.
What are the key properties of (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N,N,5-trimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 89010469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).