1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one

C9H10O2 — CID 565092

IUPAC1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one
SMILESO=C1C=CC2C=CC1(O)CC2
InChIInChI=1S/C9H10O2/c10-8-2-1-7-3-5-9(8,11)6-4-7/h1-3,5,7,11H,4,6H2
InChIKeyBPJTYYLPRHHKNM-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.82
Rot. Bonds

About 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one

1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one (PubChem CID 565092) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one.

Molecular Properties

Compound Name1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one
PubChem CID565092
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one
SMILESO=C1C=CC2C=CC1(O)CC2
InChIInChI=1S/C9H10O2/c10-8-2-1-7-3-5-9(8,11)6-4-7/h1-3,5,7,11H,4,6H2
InChIKeyBPJTYYLPRHHKNM-UHFFFAOYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.82
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

2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethenyl)-, (6S)-
CID 10820955
4-Hydroxy-crypton
CID 85807708
(E)-1-(1-hydroxycyclohex-2-en-1-yl)hept-2-en-1-one
CID 139248698
6-Butyl-6-hydroxycyclohexa-2,4-dien-1-one
CID 140987929
6-Hydroxy-6-(3-methylbutyl)cyclohexa-2,4-dien-1-one
CID 140987930
6-Hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 140987931
1-Hydroxybicyclo[3.2.1]octa-3,6-dien-2-one
CID 141091907
2-Hydroxy-2-(2-methylpropanoyl)cyclohex-3-en-1-one
CID 143091912
6-Hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 148847074
4-Hydroxy-4-prop-2-enylcyclohex-2-en-1-one
CID 11829643
1-(1-Hydroxycyclohex-2-en-1-yl)ethan-1-one
CID 13153813
(1R,6R)-1-hydroxybicyclo[4.4.1]undeca-3,7,9-trien-2-one
CID 15378024

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one?
The IUPAC name of 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one (CID 565092) is 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one.
What is the SMILES notation for 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one?
The canonical SMILES for 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one is O=C1C=CC2C=CC1(O)CC2.
What is the InChIKey of 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one?
The InChIKey is BPJTYYLPRHHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-2-1-7-3-5-9(8,11)6-4-7/h1-3,5,7,11H,4,6H2.
What are the key properties of 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one?
1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybicyclo[3.2.2]nona-3,6-dien-2-one is sourced from PubChem (CID 565092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).