1-(4-methyliminocyclohex-2-en-1-yl)ethanone

C9H13NO — CID 91552461

IUPAC1-(4-methyliminocyclohex-2-en-1-yl)ethanone
SMILESC/N=C1/C=CC(C(C)=O)CC1
InChIInChI=1S/C9H13NO/c1-7(11)8-3-5-9(10-2)6-4-8/h3,5,8H,4,6H2,1-2H3/b10-9-
InChIKeyUANDKECTHKKWLM-KTKRTIGZSA-N
MW151.21 g/mol
LogP1.61
Rot. Bonds1

About 1-(4-methyliminocyclohex-2-en-1-yl)ethanone

1-(4-methyliminocyclohex-2-en-1-yl)ethanone (PubChem CID 91552461) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(4-methyliminocyclohex-2-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyliminocyclohex-2-en-1-yl)ethanone
PubChem CID91552461
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(4-methyliminocyclohex-2-en-1-yl)ethanone
SMILESC/N=C1/C=CC(C(C)=O)CC1
InChIInChI=1S/C9H13NO/c1-7(11)8-3-5-9(10-2)6-4-8/h3,5,8H,4,6H2,1-2H3/b10-9-
InChIKeyUANDKECTHKKWLM-KTKRTIGZSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.61
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

4-acetylcyclopent-2-en-1-one
CID 16753251
1-cyclopent-2-en-1-ylethanone
CID 12714402
1-[(4S)-4-bromocyclohex-2-en-1-yl]ethanone
CID 90274184
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
cyclopentene-1,3-dicarboxylic acid
CID 10866576
1-(4-propylcyclohex-2-en-1-yl)ethanone
CID 89128614
4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 18387156
5-acetylcyclohex-3-en-1-one
CID 45085527
4,5-dimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 91023883
1-methyl-5-methylidene-8-prop-1-en-2-ylcyclodeca-1,6-diene
CID 163069841
[(1R)-4-hydroxyiminocyclopent-2-en-1-yl] acetate
CID 140970858
1-(3,4,5,6-tetrahydro-2H-1,3-thiazocin-6-yl)ethanone
CID 70358772

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyliminocyclohex-2-en-1-yl)ethanone?
The IUPAC name of 1-(4-methyliminocyclohex-2-en-1-yl)ethanone (CID 91552461) is 1-(4-methyliminocyclohex-2-en-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyliminocyclohex-2-en-1-yl)ethanone?
The canonical SMILES for 1-(4-methyliminocyclohex-2-en-1-yl)ethanone is C/N=C1/C=CC(C(C)=O)CC1.
What is the InChIKey of 1-(4-methyliminocyclohex-2-en-1-yl)ethanone?
The InChIKey is UANDKECTHKKWLM-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(11)8-3-5-9(10-2)6-4-8/h3,5,8H,4,6H2,1-2H3/b10-9-.
What are the key properties of 1-(4-methyliminocyclohex-2-en-1-yl)ethanone?
1-(4-methyliminocyclohex-2-en-1-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyliminocyclohex-2-en-1-yl)ethanone is sourced from PubChem (CID 91552461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).