(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one

C7H11NO — CID 45092478

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
SMILESO=C1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C7H11NO/c9-7-4-5-2-1-3-6(5)8-7/h5-6H,1-4H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPMGSPDVTAKHCLW-WDSKDSINSA-N
MW125.17 g/mol
LogP0.68
Rot. Bonds

About (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one

(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one (PubChem CID 45092478) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
PubChem CID45092478
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
SMILESO=C1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C7H11NO/c9-7-4-5-2-1-3-6(5)8-7/h5-6H,1-4H2,(H,8,9)/t5-,6-/m0/s1
InChIKeyPMGSPDVTAKHCLW-WDSKDSINSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one (CID 45092478) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one is O=C1C[C@@H]2CCC[C@@H]2N1.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one?
The InChIKey is PMGSPDVTAKHCLW-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO/c9-7-4-5-2-1-3-6(5)8-7/h5-6H,1-4H2,(H,8,9)/t5-,6-/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one?
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 45092478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).