1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone

C10H15NO — CID 20678651

IUPAC1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone
SMILESCC(=O)C1CC2CCC=CC2N1
InChIInChI=1S/C10H15NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h3,5,8-11H,2,4,6H2,1H3
InChIKeyQEGDDMHFTOMKTD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds1

About 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone

1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone (PubChem CID 20678651) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone
PubChem CID20678651
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone
SMILESCC(=O)C1CC2CCC=CC2N1
InChIInChI=1S/C10H15NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h3,5,8-11H,2,4,6H2,1H3
InChIKeyQEGDDMHFTOMKTD-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

7-Tetrahydroindolone
CID 66926022
(5R)-5-(4,5-difluorocyclohex-2-en-1-yl)pyrrolidin-3-one
CID 67459918
(5S)-5-(4,5-difluorocyclohex-2-en-1-yl)pyrrolidin-3-one
CID 67461477
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(2-Azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614152
1-(1-Methyl-2,3,3a,4,5,7a-hexahydroindol-2-yl)ethanone
CID 18740776
1-(1,2,3,3a,4,6a-Hexahydrocyclopenta[b]pyrrol-2-yl)ethanone
CID 20678655
1-[(2S)-1-deuterio-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanone
CID 57776803
1,2,3,3a,6,7a-Hexahydroindol-7-one
CID 66926021
1-[(2S,5S)-5-methyl-4-prop-2-enylpyrrolidin-2-yl]propan-1-one
CID 67561715
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)propan-1-one
CID 68300062
1-[(3S)-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 70335849

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone (CID 20678651) is 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone is CC(=O)C1CC2CCC=CC2N1.
What is the InChIKey of 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone?
The InChIKey is QEGDDMHFTOMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h3,5,8-11H,2,4,6H2,1H3.
What are the key properties of 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone?
1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 20678651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).