(1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one

C9H12O2 — CID 11367097

IUPAC(1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1[C@@H]2CC=C[C@@]1(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/t7-,9-/m1/s1
InChIKeyPKGFZQWUHZYHBQ-VXNVDRBHSA-N
MW152.19 g/mol
LogP1.05
Rot. Bonds

About (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one

(1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one (PubChem CID 11367097) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one.

Molecular Properties

Compound Name(1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one
PubChem CID11367097
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one
SMILESO=C1[C@@H]2CC=C[C@@]1(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/t7-,9-/m1/s1
InChIKeyPKGFZQWUHZYHBQ-VXNVDRBHSA-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

8-Hydroxybicyclo[3.3.1]non-6-en-3-one
CID 376749
Verticinol A
CID 139585723
Trichobisabolin F
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
CID 135014157
1-[(1S,5R)-1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl]ethanone
CID 135040615
1-Hydroxybicyclo[3.3.1]non-2-en-9-one
CID 72819414
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

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The IUPAC name of (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one (CID 11367097) is (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one.
What is the SMILES notation for (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The canonical SMILES for (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one is O=C1[C@@H]2CC=C[C@@]1(O)CCC2.
What is the InChIKey of (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one?
The InChIKey is PKGFZQWUHZYHBQ-VXNVDRBHSA-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/t7-,9-/m1/s1.
What are the key properties of (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one?
(1S,5S)-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 (1S,5S)-1-hydroxybicyclo[3.3.1]non-2-en-9-one is sourced from PubChem (CID 11367097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).