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

C8H11NO — CID 90892543

IUPAC1-(4-iminocyclohex-2-en-1-yl)ethanone
SMILES[H]/N=C1/C=CC(C(C)=O)CC1
InChIInChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2,4,7,9H,3,5H2,1H3/b9-8-
InChIKeyYVYIOSPGALMIHL-HJWRWDBZSA-N
MW137.18 g/mol
LogP1.56
Rot. Bonds1

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

1-(4-iminocyclohex-2-en-1-yl)ethanone (PubChem CID 90892543) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(4-iminocyclohex-2-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-iminocyclohex-2-en-1-yl)ethanone
PubChem CID90892543
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(4-iminocyclohex-2-en-1-yl)ethanone
SMILES[H]/N=C1/C=CC(C(C)=O)CC1
InChIInChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2,4,7,9H,3,5H2,1H3/b9-8-
InChIKeyYVYIOSPGALMIHL-HJWRWDBZSA-N
XLogP1.56
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iminocyclohex-2-en-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
3-(4-Iminocyclohex-2-en-1-yl)prop-1-en-1-one
CID 57151732
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
(Z)-3-iminodec-7-en-2-one
CID 88953848
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
6-Imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
CID 90712963
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(6-Iminocyclohexen-1-yl)propan-2-one
CID 91240495
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909

Frequently Asked Questions

What is the IUPAC name of 1-(4-iminocyclohex-2-en-1-yl)ethanone?
The IUPAC name of 1-(4-iminocyclohex-2-en-1-yl)ethanone (CID 90892543) is 1-(4-iminocyclohex-2-en-1-yl)ethanone.
What is the SMILES notation for 1-(4-iminocyclohex-2-en-1-yl)ethanone?
The canonical SMILES for 1-(4-iminocyclohex-2-en-1-yl)ethanone is [H]/N=C1/C=CC(C(C)=O)CC1.
What is the InChIKey of 1-(4-iminocyclohex-2-en-1-yl)ethanone?
The InChIKey is YVYIOSPGALMIHL-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2,4,7,9H,3,5H2,1H3/b9-8-.
What are the key properties of 1-(4-iminocyclohex-2-en-1-yl)ethanone?
1-(4-iminocyclohex-2-en-1-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iminocyclohex-2-en-1-yl)ethanone is sourced from PubChem (CID 90892543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).