(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one

C13H14O2 — CID 134860940

IUPAC(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one
SMILESC[C@]12Cc3ccccc3[C@@]1(O)CCC2=O
InChIInChI=1S/C13H14O2/c1-12-8-9-4-2-3-5-10(9)13(12,15)7-6-11(12)14/h2-5,15H,6-8H2,1H3/t12-,13+/m1/s1
InChIKeyFSONQKVTEYWACJ-OLZOCXBDSA-N
MW202.25 g/mol
LogP1.80
Rot. Bonds

About (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one

(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one (PubChem CID 134860940) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one.

Molecular Properties

Compound Name(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one
PubChem CID134860940
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one
SMILESC[C@]12Cc3ccccc3[C@@]1(O)CCC2=O
InChIInChI=1S/C13H14O2/c1-12-8-9-4-2-3-5-10(9)13(12,15)7-6-11(12)14/h2-5,15H,6-8H2,1H3/t12-,13+/m1/s1
InChIKeyFSONQKVTEYWACJ-OLZOCXBDSA-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,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-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

9-Hydroxy-9-pivaloylfluorene
CID 132698
6-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
CID 51002767
4-fluoro-3-hydroxy-3-methyl-2H-inden-1-one
CID 102415197
(1R,3'S)-5'-fluoro-3'-hydroxy-3'-methyl-2-propyl-1,2'-spirobi[indene]-1'-one
CID 139038791
1-(9-Hydroxy-9H-fluoren-9-yl)ethan-1-one
CID 12334612
9-Hydroxy-9-carboxymethylfluorene
CID 12570464
2-(9-Hydroxyfluoren-9-yl)-2-methylpropanoic acid
CID 12570469
3-hydroxy-3-methyl-2H-inden-1-one
CID 102415201
(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
CID 164852830
2-(6-Fluoro-1-hydroxy-1-indanyl)acetic acid
CID 23293572
2-(5-Fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
CID 23293656
2-(4-Fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
CID 23293666

Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one?
The IUPAC name of (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one (CID 134860940) is (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one.
What is the SMILES notation for (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one?
The canonical SMILES for (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one is C[C@]12Cc3ccccc3[C@@]1(O)CCC2=O.
What is the InChIKey of (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one?
The InChIKey is FSONQKVTEYWACJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H14O2/c1-12-8-9-4-2-3-5-10(9)13(12,15)7-6-11(12)14/h2-5,15H,6-8H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one?
(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-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,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one is sourced from PubChem (CID 134860940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).