3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one

C11H16O2 — CID 12749930

IUPAC3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2(O)CCCC2)CCC1
InChIInChI=1S/C11H16O2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h8,13H,1-7H2
InChIKeyDUQHZBRSBUGHKL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.97
Rot. Bonds1

About 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one

3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one (PubChem CID 12749930) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one
PubChem CID12749930
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one
SMILESO=C1C=C(C2(O)CCCC2)CCC1
InChIInChI=1S/C11H16O2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h8,13H,1-7H2
InChIKeyDUQHZBRSBUGHKL-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
(4S)-4-hydroxy-2,3-dimethyl-5-methylidene-4-pentylcyclopent-2-en-1-one
CID 155549594
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7-dimethyl-6-octenyl)-3,5,6-trimethyl-
CID 3055498
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
Grandilobatin E
CID 44585761
(8S,8aS)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6,7,8,8a-tetrahydro-1H-azulen-2-one
CID 15380738
(3aS,5R,8R,8aS)-3a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydroazulen-1-one
CID 44604951
10-Hydroxy-2,6,10-trimethyldodeca-2,11-dien-4-one
CID 11368417
(3S,3aE,6S,9S,9aR)-3-hydroxy-3,6,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-one
CID 15475314
(3R)-3-hydroxy-3,5,5-trimethyl-7-propan-2-yl-2,4-dihydroinden-1-one
CID 15690503
13-Hydroxy-tricho-2(12),9(10)-diene-3-one
CID 139584005

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one (CID 12749930) is 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one is O=C1C=C(C2(O)CCCC2)CCC1.
What is the InChIKey of 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one?
The InChIKey is DUQHZBRSBUGHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h8,13H,1-7H2.
What are the key properties of 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one?
3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentyl)cyclohex-2-en-1-one is sourced from PubChem (CID 12749930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).