(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one

C13H14O2 — CID 10867379

IUPAC(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
SMILESO=C1CC[C@@H]2CCc3ccccc3[C@]12O
InChIInChI=1S/C13H14O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10,12)15/h1-4,10,15H,5-8H2/t10-,13-/m0/s1
InChIKeyMJAWOKXCEMTVME-GWCFXTLKSA-N
MW202.25 g/mol
LogP1.80
Rot. Bonds

About (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one

(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one (PubChem CID 10867379) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
PubChem CID10867379
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
SMILESO=C1CC[C@@H]2CCc3ccccc3[C@]12O
InChIInChI=1S/C13H14O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10,12)15/h1-4,10,15H,5-8H2/t10-,13-/m0/s1
InChIKeyMJAWOKXCEMTVME-GWCFXTLKSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-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

Saprirearine
CID 12051548
(9S,9aS)-9a-hydroxy-6-methyl-2-propan-2-yl-9-prop-1-en-2-yl-8,9-dihydro-7H-phenalen-1-one
CID 636645
(9aS)-7,8,9,9a-Tetrahydro-9a-hydroxy-6-methyl-9-(1-methylethenyl)-2-(1-methylethyl)-1H-phenalen-1-one
CID 102004637
(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one
CID 102347691
(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696
1-(9-Hydroxy-9H-fluoren-9-yl)ethan-1-one
CID 12334612
1-Hydroxy-1-methyl-3,4-dihydronaphthalen-2(1H)-one
CID 12377685
1-Hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 18518695
1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 91535825
(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
CID 164852830
3,4-dihydro-1-hydroxy-5-methyl-1-(trifluoromethyl)-2(1H)-naphthalenone
CID 15568759
2-(Fluoromethyl)-2-hydroxyacenaphthylen-1-one
CID 177938095

Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one?
The IUPAC name of (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one (CID 10867379) is (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one.
What is the SMILES notation for (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one?
The canonical SMILES for (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one is O=C1CC[C@@H]2CCc3ccccc3[C@]12O.
What is the InChIKey of (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one?
The InChIKey is MJAWOKXCEMTVME-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H14O2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10,12)15/h1-4,10,15H,5-8H2/t10-,13-/m0/s1.
What are the key properties of (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one?
(3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one has a molecular weight of 202.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 10867379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).