1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone

C10H15NO — CID 163490747

IUPAC1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
SMILESCC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C
InChIInChI=1S/C10H15NO/c1-7(12)10-9-5-3-4-8(9)6-11(10)2/h3-4,8-10H,5-6H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyUMSCOLSSPURFJV-LPEHRKFASA-N
MW165.24 g/mol
LogP1.08
Rot. Bonds1

About 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone

1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone (PubChem CID 163490747) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
PubChem CID163490747
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone
SMILESCC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C
InChIInChI=1S/C10H15NO/c1-7(12)10-9-5-3-4-8(9)6-11(10)2/h3-4,8-10H,5-6H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyUMSCOLSSPURFJV-LPEHRKFASA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[(1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134991537
1-[(1R,6S)-9-azatricyclo[4.3.0.02,9]non-3-en-1-yl]ethanone
CID 138972478
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
CID 18740795
1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 58605246
1-(1-Methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone
CID 58850045
1-(3-Ethenyl-1-methylpyrrolidin-2-yl)ethanone
CID 68267196
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)propan-1-one
CID 68300062
1-(1-Ethyl-3-prop-2-enylpyrrolidin-2-yl)propan-1-one
CID 68300069
1-(2-Methyl-1,3,3a,7a-tetrahydroisoindol-1-yl)ethanone
CID 89047998
1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrole-2-carbaldehyde
CID 89891536
1-(1-Methyl-3-prop-2-enylpyrrolidin-2-yl)propan-1-one
CID 89982085

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone (CID 163490747) is 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone is CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C.
What is the InChIKey of 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
The InChIKey is UMSCOLSSPURFJV-LPEHRKFASA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)10-9-5-3-4-8(9)6-11(10)2/h3-4,8-10H,5-6H2,1-2H3/t8-,9-,10+/m0/s1.
What are the key properties of 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone?
1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,3aS,6aR)-2-methyl-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]ethanone is sourced from PubChem (CID 163490747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).