1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone

C10H16O2 — CID 140897721

IUPAC1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone
SMILESCC(=O)C1=C(O)CC(C(C)C)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h6,8,12H,4-5H2,1-3H3
InChIKeyBDJWPLQULGOABP-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone

1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone (PubChem CID 140897721) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone
PubChem CID140897721
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone
SMILESCC(=O)C1=C(O)CC(C(C)C)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h6,8,12H,4-5H2,1-3H3
InChIKeyBDJWPLQULGOABP-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone 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

methyl (5S)-2-hydroxy-5-propan-2-ylcyclohexene-1-carboxylate
CID 54694601
2-propanoyl-5-propan-2-ylcyclohexane-1,3-dione
CID 52950248
1,2,4-tri(propan-2-yl)cyclopentene
CID 20780367
2-(3,4-dihydro-2H-pyrrol-5-yl)-3-hydroxy-5-propan-2-ylcyclohex-2-en-1-one
CID 135759153
1-(4-propan-2-ylcyclohexen-1-yl)ethanone
CID 153373666
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone
CID 140897650
1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103564719
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone (CID 140897721) is 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone is CC(=O)C1=C(O)CC(C(C)C)C1.
What is the InChIKey of 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone?
The InChIKey is BDJWPLQULGOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-4-9(7(3)11)10(12)5-8/h6,8,12H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone?
1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-propan-2-ylcyclopenten-1-yl)ethanone is sourced from PubChem (CID 140897721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).