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

C13H14O2 — CID 134844822

IUPAC(3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one
SMILESC[C@@]12C(=O)CC[C@]1(O)Cc1ccccc12
InChIInChI=1S/C13H14O2/c1-12-10-5-3-2-4-9(10)8-13(12,15)7-6-11(12)14/h2-5,15H,6-8H2,1H3/t12-,13+/m1/s1
InChIKeyAFZOCCGMJVYMMY-OLZOCXBDSA-N
MW202.25 g/mol
LogP1.59
Rot. Bonds

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

(3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one (PubChem CID 134844822) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one.

Molecular Properties

Compound Name(3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one
PubChem CID134844822
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one
SMILESC[C@@]12C(=O)CC[C@]1(O)Cc1ccccc12
InChIInChI=1S/C13H14O2/c1-12-10-5-3-2-4-9(10)8-13(12,15)7-6-11(12)14/h2-5,15H,6-8H2,1H3/t12-,13+/m1/s1
InChIKeyAFZOCCGMJVYMMY-OLZOCXBDSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 59860531
(3aR,4R,5S,6aR)-4-acetyl-3a-hydroxy-6a-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-pentalen-1-one
CID 101729184
(3aS,4S,5R,6aS)-4-benzoyl-3a-hydroxy-6a-methyl-5-propyl-3,4,5,6-tetrahydro-2H-pentalen-1-one
CID 102483124
1-(2,3-dihydro-1H-inden-1-yl)-3-hydroxy-3-methylbutan-1-one
CID 134833380
(3aS,8bR)-8b-hydroxy-3a-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[a]indene-1-carbaldehyde
CID 134844299
(3aS,8bS)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-cyclopenta[a]inden-3-one
CID 134860940
(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one
CID 134945866
methyl (3aS,4R,8bR)-3a-hydroxy-4-phenyl-1,2,3,8b-tetrahydrocyclopenta[a]indene-4-carboxylate
CID 134949481
(3aR,8bR)-8b-hydroxy-3a-phenyl-3H-cyclopenta[b]inden-4-one
CID 155932046
(3aS,4S,6aS)-4-hydroxy-3a,6a-dimethyl-4-(2-phenylethynyl)-2,3,5,6-tetrahydropentalen-1-one
CID 15146782
1-[2-Hydroxyindanyl]-2-indonone
CID 583454
Cyclopent[a]inden-8(1H)-one, 2,3,3a,8a-tetrahydro-3a-hydroxy-1,1-dimethyl-
CID 590321

Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one?
The IUPAC name of (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one (CID 134844822) is (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one.
What is the SMILES notation for (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one?
The canonical SMILES for (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one is C[C@@]12C(=O)CC[C@]1(O)Cc1ccccc12.
What is the InChIKey of (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one?
The InChIKey is AFZOCCGMJVYMMY-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H14O2/c1-12-10-5-3-2-4-9(10)8-13(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)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one?
(3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one has a molecular weight of 202.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-3a-hydroxy-8b-methyl-3,4-dihydro-2H-cyclopenta[a]inden-1-one is sourced from PubChem (CID 134844822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).