2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one

C9H9NO — CID 70593679

IUPAC2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one
SMILESC=C/N=C/C1=CC=CCC1=O
InChIInChI=1S/C9H9NO/c1-2-10-7-8-5-3-4-6-9(8)11/h2-5,7H,1,6H2/b10-7+
InChIKeyHMHLFUPWCQQYJU-JXMROGBWSA-N
MW147.18 g/mol
LogP1.66
Rot. Bonds2

About 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one

2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one (PubChem CID 70593679) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one
PubChem CID70593679
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one
SMILESC=C/N=C/C1=CC=CCC1=O
InChIInChI=1S/C9H9NO/c1-2-10-7-8-5-3-4-6-9(8)11/h2-5,7H,1,6H2/b10-7+
InChIKeyHMHLFUPWCQQYJU-JXMROGBWSA-N
XLogP1.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 67245344
Cyclohepta[b]pyridin-4-one
CID 91267558
7H-isoquinolin-6-one
CID 123935586
2-Azafluoren-7-one
CID 129650989
Dibenzo[c,e]azepinone
CID 162368597
2-Benzazepin-9-one
CID 19029265
Cyclopenta[c]pyridin-6-one
CID 19748666
2-Benzazepin-4-one
CID 19763352
3-(3H-pyridin-4-ylidene)pentane-2,4-dione
CID 20183370

Frequently Asked Questions

What is the IUPAC name of 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one (CID 70593679) is 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one is C=C/N=C/C1=CC=CCC1=O.
What is the InChIKey of 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is HMHLFUPWCQQYJU-JXMROGBWSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-10-7-8-5-3-4-6-9(8)11/h2-5,7H,1,6H2/b10-7+.
What are the key properties of 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one?
2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 147.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenyliminomethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 70593679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).