2,3,7,7a-tetrahydroinden-1-one

C9H10O — CID 141013179

IUPAC2,3,7,7a-tetrahydroinden-1-one
SMILESO=C1CCC2=CC=CCC12
InChIInChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8H,4-6H2
InChIKeyASEAWLPXRSHGMD-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.85
Rot. Bonds

About 2,3,7,7a-tetrahydroinden-1-one

2,3,7,7a-tetrahydroinden-1-one (PubChem CID 141013179) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,3,7,7a-tetrahydroinden-1-one.

Molecular Properties

Compound Name2,3,7,7a-tetrahydroinden-1-one
PubChem CID141013179
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2,3,7,7a-tetrahydroinden-1-one
SMILESO=C1CCC2=CC=CCC12
InChIInChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8H,4-6H2
InChIKeyASEAWLPXRSHGMD-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,7,7a-tetrahydroinden-1-one 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

8,8a-dihydro-4H-naphthalen-1-one
CID 57102045
2-(4-oxo-2,3,4a,5-tetrahydro-1H-naphthalen-2-yl)acetic acid
CID 154298027
1,8,8a,9a-tetrahydroanthracene-9,10-dione
CID 25051791
3,3-dimethyl-7,7a-dihydro-2H-inden-1-one
CID 174371674
2-hydroxy-3a,4-dihydroisoindole-1,3-dione
CID 23442463
4a,9-dihydro-4H-fluorene
CID 123273632
4-hydroxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 141084647
2-phenyl-4a,5-dihydrochromene-3,4-dione
CID 67065449
1,8a,9a,10a-tetrahydroanthracene-9,10-dione
CID 18624886
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
6-(cyclohexen-1-yl)-1-methylcyclohexa-1,3-diene
CID 123418674
7,7a-dihydro-1,2-benzothiazol-3-one
CID 89335895

Frequently Asked Questions

What is the IUPAC name of 2,3,7,7a-tetrahydroinden-1-one?
The IUPAC name of 2,3,7,7a-tetrahydroinden-1-one (CID 141013179) is 2,3,7,7a-tetrahydroinden-1-one.
What is the SMILES notation for 2,3,7,7a-tetrahydroinden-1-one?
The canonical SMILES for 2,3,7,7a-tetrahydroinden-1-one is O=C1CCC2=CC=CCC12.
What is the InChIKey of 2,3,7,7a-tetrahydroinden-1-one?
The InChIKey is ASEAWLPXRSHGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-3,8H,4-6H2.
What are the key properties of 2,3,7,7a-tetrahydroinden-1-one?
2,3,7,7a-tetrahydroinden-1-one has a molecular weight of 134.18 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7a-tetrahydroinden-1-one is sourced from PubChem (CID 141013179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).