(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine

C11H13N — CID 163851800

IUPAC(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1C=CC(=C)CC1=C
InChIInChI=1S/C11H13N/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-7,11-12H,1-2,8H2/b4-3-,12-7+
InChIKeyOUZOPGBXPLTREV-MJXUXYKOSA-N
MW159.23 g/mol
LogP2.88
Rot. Bonds2

About (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine

(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine (PubChem CID 163851800) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine
PubChem CID163851800
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine
SMILES[H]/N=C/C=C\C1C=CC(=C)CC1=C
InChIInChI=1S/C11H13N/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-7,11-12H,1-2,8H2/b4-3-,12-7+
InChIKeyOUZOPGBXPLTREV-MJXUXYKOSA-N
XLogP2.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine 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

(Z)-3-(3-methylidenecyclopropen-1-yl)prop-2-en-1-imine
CID 163834032
4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene
CID 163583110
6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720
1,2,3-trimethoxy-6-methylidenecyclohepta-1,4-diene
CID 136656962
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 144895641
(Z)-3-(2-methylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 144659223
(E)-3-(1H-pyrrol-1-ium-3-yl)prop-2-en-1-imine
CID 101138921
2,3-difluoro-4-[[4-[4-[(E)-3-iminoprop-1-enyl]cyclohexyl]cyclohexyl]methoxy]aniline
CID 145295184
1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
CID 173297669
3-imino-4,6-dimethylidenecyclohexen-1-amine
CID 102013794
(2Z,4E)-5-(3,5-dimethylphenyl)hexa-2,4-dien-1-imine
CID 158523336
hexa-2,4-dien-1-imine
CID 86115777

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine (CID 163851800) is (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine is [H]/N=C/C=C\C1C=CC(=C)CC1=C.
What is the InChIKey of (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine?
The InChIKey is OUZOPGBXPLTREV-MJXUXYKOSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-6-11(4-3-7-12)10(2)8-9/h3-7,11-12H,1-2,8H2/b4-3-,12-7+.
What are the key properties of (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine?
(Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine has a molecular weight of 159.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,6-dimethylidenecyclohex-2-en-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 163851800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).