2,6,7,8-tetrahydro-1H-as-indacen-3-one

C12H12O — CID 638795

IUPAC2,6,7,8-tetrahydro-1H-as-indacen-3-one
SMILESO=C1CCc2c1ccc1c2CCC1
InChIInChI=1S/C12H12O/c13-12-7-6-10-9-3-1-2-8(9)4-5-11(10)12/h4-5H,1-3,6-7H2
InChIKeyPRGSEJOOVBWISD-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.30
Rot. Bonds

About 2,6,7,8-tetrahydro-1H-as-indacen-3-one

2,6,7,8-tetrahydro-1H-as-indacen-3-one (PubChem CID 638795) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,6,7,8-tetrahydro-1H-as-indacen-3-one.

Molecular Properties

Compound Name2,6,7,8-tetrahydro-1H-as-indacen-3-one
PubChem CID638795
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2,6,7,8-tetrahydro-1H-as-indacen-3-one
SMILESO=C1CCc2c1ccc1c2CCC1
InChIInChI=1S/C12H12O/c13-12-7-6-10-9-3-1-2-8(9)4-5-11(10)12/h4-5H,1-3,6-7H2
InChIKeyPRGSEJOOVBWISD-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6,7,8-tetrahydro-1H-as-indacen-3-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

3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one
CID 640563
1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
CID 129011355
4-oxatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),7-triene-3,5-dione
CID 101490338
5-fluoro-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 55297472
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936
4,5-dichloro-2,3-dihydroinden-1-one
CID 22903622
2-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro-2H-phenanthren-1-one
CID 15710343
4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297492
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
2,3,4,6-tetrahydro-1H-chrysen-5-one
CID 174299531
4-chloro-5-iodo-2,3-dihydroinden-1-one
CID 127255680

Frequently Asked Questions

What is the IUPAC name of 2,6,7,8-tetrahydro-1H-as-indacen-3-one?
The IUPAC name of 2,6,7,8-tetrahydro-1H-as-indacen-3-one (CID 638795) is 2,6,7,8-tetrahydro-1H-as-indacen-3-one.
What is the SMILES notation for 2,6,7,8-tetrahydro-1H-as-indacen-3-one?
The canonical SMILES for 2,6,7,8-tetrahydro-1H-as-indacen-3-one is O=C1CCc2c1ccc1c2CCC1.
What is the InChIKey of 2,6,7,8-tetrahydro-1H-as-indacen-3-one?
The InChIKey is PRGSEJOOVBWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-12-7-6-10-9-3-1-2-8(9)4-5-11(10)12/h4-5H,1-3,6-7H2.
What are the key properties of 2,6,7,8-tetrahydro-1H-as-indacen-3-one?
2,6,7,8-tetrahydro-1H-as-indacen-3-one has a molecular weight of 172.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8-tetrahydro-1H-as-indacen-3-one is sourced from PubChem (CID 638795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).