(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one

C11H13NO2 — CID 131862953

IUPAC(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one
SMILESCC1=CC(=O)C2CC1C(C)=C/C2=N/O
InChIInChI=1S/C11H13NO2/c1-6-3-10(12-14)9-5-8(6)7(2)4-11(9)13/h3-4,8-9,14H,5H2,1-2H3/b12-10-
InChIKeyFKYWTEULMHKYEQ-BENRWUELSA-N
MW191.23 g/mol
LogP1.93
Rot. Bonds

About (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one

(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one (PubChem CID 131862953) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one.

Molecular Properties

Compound Name(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one
PubChem CID131862953
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one
SMILESCC1=CC(=O)C2CC1C(C)=C/C2=N/O
InChIInChI=1S/C11H13NO2/c1-6-3-10(12-14)9-5-8(6)7(2)4-11(9)13/h3-4,8-9,14H,5H2,1-2H3/b12-10-
InChIKeyFKYWTEULMHKYEQ-BENRWUELSA-N
XLogP1.93
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one?
The IUPAC name of (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one (CID 131862953) is (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one.
What is the SMILES notation for (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one?
The canonical SMILES for (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one is CC1=CC(=O)C2CC1C(C)=C/C2=N/O.
What is the InChIKey of (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one?
The InChIKey is FKYWTEULMHKYEQ-BENRWUELSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6-3-10(12-14)9-5-8(6)7(2)4-11(9)13/h3-4,8-9,14H,5H2,1-2H3/b12-10-.
What are the key properties of (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one?
(8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-hydroxyimino-4,6-dimethylbicyclo[3.3.1]nona-3,6-dien-2-one is sourced from PubChem (CID 131862953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).