2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone

C9H9NO2 — CID 174863640

IUPAC2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
SMILESC=C1C=CC=CC1C(=O)C=NO
InChIInChI=1S/C9H9NO2/c1-7-4-2-3-5-8(7)9(11)6-10-12/h2-6,8,12H,1H2
InChIKeyJHKSVHRXVZUNAV-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.31
Rot. Bonds2

About 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone

2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 174863640) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
PubChem CID174863640
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
SMILESC=C1C=CC=CC1C(=O)C=NO
InChIInChI=1S/C9H9NO2/c1-7-4-2-3-5-8(7)9(11)6-10-12/h2-6,8,12H,1H2
InChIKeyJHKSVHRXVZUNAV-UHFFFAOYSA-N
XLogP1.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.31
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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Related Compounds

1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 130027554
(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
CID 69017474
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
6-[2-(dimethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 140991636
1-(6,6-diethoxycyclohexa-2,4-dien-1-yl)-2-hydroxyiminoethanone
CID 151326714
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
N-cyclopropyl-6-methylidenecyclohexa-2,4-dien-1-amine
CID 174873850
[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
CID 154101904
(Z)-N,N-diethyl-2-(6-methylidenecyclohexa-2,4-dien-1-yl)-4-phenylbut-1-en-3-yne-1-sulfonamide
CID 177434528
6-sulfinylcyclohexa-2,4-diene-1-carboxylic acid
CID 88639766
1-(2-methylcyclopenta-2,4-dien-1-yl)prop-2-en-1-one
CID 22003282
6-(4,4,4-trihydroxybutanoyl)cyclohexa-2,4-dien-1-one
CID 141034748

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone (CID 174863640) is 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone is C=C1C=CC=CC1C(=O)C=NO.
What is the InChIKey of 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is JHKSVHRXVZUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7-4-2-3-5-8(7)9(11)6-10-12/h2-6,8,12H,1H2.
What are the key properties of 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 163.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 174863640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).