1-hydroxybicyclo[3.3.1]non-2-en-9-one

C9H12O2 — CID 72819414

IUPAC1-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1C2CC=CC1(O)CCC2
InChIInChI=1S/C9H12O2/c10-8-7-3-1-5-9(8,11)6-2-4-7/h1,5,7,11H,2-4,6H2
InChIKeyPKGFZQWUHZYHBQ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.05
Rot. Bonds

About 1-hydroxybicyclo[3.3.1]non-2-en-9-one

1-hydroxybicyclo[3.3.1]non-2-en-9-one (PubChem CID 72819414) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-hydroxybicyclo[3.3.1]non-2-en-9-one.

Molecular Properties

Compound Name1-hydroxybicyclo[3.3.1]non-2-en-9-one
PubChem CID72819414
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1C2CC=CC1(O)CCC2
InChIInChI=1S/C9H12O2/c10-8-7-3-1-5-9(8,11)6-2-4-7/h1,5,7,11H,2-4,6H2
InChIKeyPKGFZQWUHZYHBQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 376749
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CID 146683370
1-Hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
CID 102373500
3-(1-Hydroxy-2-cyclohexen-1-yl)cyclohexanone
CID 71356807
1-[(1R,5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]ethanone
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1-[(1S,5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]ethanone
CID 135040615
trans-(2S,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102011600
cis-(2R,6R)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102373491
Cyclohexyl-(1-hydroxycyclohexa-2,4-dien-1-yl)methanone
CID 22073003
2-Cyclohexyl-1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 67611825
1-hydroxy-1,4a-dimethyl-4,5-dihydro-3H-naphthalen-2-one
CID 68964566

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The IUPAC name of 1-hydroxybicyclo[3.3.1]non-2-en-9-one (CID 72819414) is 1-hydroxybicyclo[3.3.1]non-2-en-9-one.
What is the SMILES notation for 1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The canonical SMILES for 1-hydroxybicyclo[3.3.1]non-2-en-9-one is O=C1C2CC=CC1(O)CCC2.
What is the InChIKey of 1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The InChIKey is PKGFZQWUHZYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-8-7-3-1-5-9(8,11)6-2-4-7/h1,5,7,11H,2-4,6H2.
What are the key properties of 1-hydroxybicyclo[3.3.1]non-2-en-9-one?
1-hydroxybicyclo[3.3.1]non-2-en-9-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-hydroxybicyclo[3.3.1]non-2-en-9-one is sourced from PubChem (CID 72819414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).