(Z)-N-(1-chloroethenyl)pent-1-en-3-imine

C7H10ClN — CID 143642345

IUPAC(Z)-N-(1-chloroethenyl)pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(=C)Cl
InChIInChI=1S/C7H10ClN/c1-4-7(5-2)9-6(3)8/h4H,1,3,5H2,2H3/b9-7+
InChIKeyFGGJUWTZYDFJAJ-VQHVLOKHSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds3

About (Z)-N-(1-chloroethenyl)pent-1-en-3-imine

(Z)-N-(1-chloroethenyl)pent-1-en-3-imine (PubChem CID 143642345) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (Z)-N-(1-chloroethenyl)pent-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-(1-chloroethenyl)pent-1-en-3-imine
PubChem CID143642345
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(Z)-N-(1-chloroethenyl)pent-1-en-3-imine
SMILESC=C/C(CC)=N\C(=C)Cl
InChIInChI=1S/C7H10ClN/c1-4-7(5-2)9-6(3)8/h4H,1,3,5H2,2H3/b9-7+
InChIKeyFGGJUWTZYDFJAJ-VQHVLOKHSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-(1-chloroethenyl)pent-1-en-3-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

6-Chloro-2-methyl-3,4-dihydropyridine
CID 89117466
N-[(3E)-3-chloropenta-1,3-dien-2-yl]pent-1-en-3-imine
CID 123224720
6-Chloro-2-methyl-3,4-dihydropyridine;ethane
CID 143745487
(Z)-N-(1-chloroethenyl)but-3-en-2-imine
CID 143794058
(Z)-N-(1-chloroethenyl)but-3-en-2-imine;ethane
CID 144881481
N-[(E)-1-chloroprop-1-enyl]-1-iodobut-3-en-2-imine
CID 173495504
N-(2-chloropropan-2-yl)but-3-en-2-imine
CID 173796493
N-[(E)-1-chloroprop-1-enyl]butan-2-imine
CID 173936158
2-Chloro-4-ethylazete
CID 70522004
5-chloro-2-ethyl-3H-pyrrole
CID 161756850

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-chloroethenyl)pent-1-en-3-imine?
The IUPAC name of (Z)-N-(1-chloroethenyl)pent-1-en-3-imine (CID 143642345) is (Z)-N-(1-chloroethenyl)pent-1-en-3-imine.
What is the SMILES notation for (Z)-N-(1-chloroethenyl)pent-1-en-3-imine?
The canonical SMILES for (Z)-N-(1-chloroethenyl)pent-1-en-3-imine is C=C/C(CC)=N\C(=C)Cl.
What is the InChIKey of (Z)-N-(1-chloroethenyl)pent-1-en-3-imine?
The InChIKey is FGGJUWTZYDFJAJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-7(5-2)9-6(3)8/h4H,1,3,5H2,2H3/b9-7+.
What are the key properties of (Z)-N-(1-chloroethenyl)pent-1-en-3-imine?
(Z)-N-(1-chloroethenyl)pent-1-en-3-imine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloroethenyl)pent-1-en-3-imine is sourced from PubChem (CID 143642345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).