(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one

C10H15NO — CID 146282535

IUPAC(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESC=CCC1C(=O)C[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H15NO/c1-2-3-8-9-6-11-5-7(9)4-10(8)12/h2,7-9,11H,1,3-6H2/t7-,8?,9+/m0/s1
InChIKeyRQBGYYZSHWDFNR-UBGVJBJISA-N
MW165.24 g/mol
LogP0.99
Rot. Bonds2

About (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one

(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one (PubChem CID 146282535) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one.

Molecular Properties

Compound Name(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
PubChem CID146282535
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one
SMILESC=CCC1C(=O)C[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H15NO/c1-2-3-8-9-6-11-5-7(9)4-10(8)12/h2,7-9,11H,1,3-6H2/t7-,8?,9+/m0/s1
InChIKeyRQBGYYZSHWDFNR-UBGVJBJISA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one?
The IUPAC name of (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one (CID 146282535) is (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one.
What is the SMILES notation for (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one?
The canonical SMILES for (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one is C=CCC1C(=O)C[C@H]2CNC[C@@H]12.
What is the InChIKey of (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one?
The InChIKey is RQBGYYZSHWDFNR-UBGVJBJISA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-9-6-11-5-7(9)4-10(8)12/h2,7-9,11H,1,3-6H2/t7-,8?,9+/m0/s1.
What are the key properties of (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one?
(3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one has a molecular weight of 165.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4-prop-2-enyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one is sourced from PubChem (CID 146282535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).