1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one

C9H12O2 — CID 130030576

IUPAC1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC(=O)C2(O)CCC1C2
InChIInChI=1S/C9H12O2/c1-6-4-8(10)9(11)3-2-7(6)5-9/h4,7,11H,2-3,5H2,1H3
InChIKeyCLSDMSTZVXISDO-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.05
Rot. Bonds

About 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one

1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one (PubChem CID 130030576) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
PubChem CID130030576
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
SMILESCC1=CC(=O)C2(O)CCC1C2
InChIInChI=1S/C9H12O2/c1-6-4-8(10)9(11)3-2-7(6)5-9/h4,7,11H,2-3,5H2,1H3
InChIKeyCLSDMSTZVXISDO-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one with MolForge

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Related Compounds

(6R)-6-hydroxy-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
CID 163071598
(3aR,6R,6aS)-6a-hydroxy-3-methyl-6-prop-1-en-2-yl-3a,4,5,6-tetrahydropentalen-1-one
CID 24905795
Methyl-tetrahydro-geranylgeraniol
CID 137554848
(3R,3aS,5R,8aR)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulen-4-one
CID 139040286
6-Hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
CID 342513
3-Hydroxybisabola-1(6)-dien-2-one A
CID 91749471
8-Hydroxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 85299310
2-ethyl-2-hydroxy-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122029
2-hydroxy-2-methyl-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122353
6-Hydroxy-6-methyl-3-propan-2-ylcyclohex-2-en-1-one
CID 68296627
2-(2-Bicyclo[2.2.1]hept-2-enyl)-2-oxoacetic acid
CID 141207930
2-hydroxy-2-methyl-4,5-dihydro-3H-inden-1-one
CID 141393211

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one (CID 130030576) is 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one is CC1=CC(=O)C2(O)CCC1C2.
What is the InChIKey of 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is CLSDMSTZVXISDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-4-8(10)9(11)3-2-7(6)5-9/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylbicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 130030576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).