(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine

C7H10ClN — CID 142097749

IUPAC(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine
SMILESC=C(Cl)/N=C\C(C)=C/C
InChIInChI=1S/C7H10ClN/c1-4-6(2)5-9-7(3)8/h4-5H,3H2,1-2H3/b6-4-,9-5-
InChIKeyRLHTYAKIXMWTCL-QQCDKKIISA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine

(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine (PubChem CID 142097749) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine
PubChem CID142097749
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine
SMILESC=C(Cl)/N=C\C(C)=C/C
InChIInChI=1S/C7H10ClN/c1-4-6(2)5-9-7(3)8/h4-5H,3H2,1-2H3/b6-4-,9-5-
InChIKeyRLHTYAKIXMWTCL-QQCDKKIISA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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,Z)-N-(1-chloroethenyl)-2-methylbut-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

N-ethyl-2-methylbut-2-en-1-imine
CID 53923921
N,2-dimethylbut-2-en-1-imine
CID 54166821
(E)-N-ethyl-2-methylbut-2-en-1-imine
CID 88259475
(Z)-N-ethenyl-2-methylbut-2-en-1-imine
CID 88853925
(Z)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 89035223
(Z)-N-ethyl-2-methylbut-2-en-1-imine
CID 89173644
N-(1-chloroethenyl)-2-methylprop-2-en-1-imine
CID 90688003
2-(chloromethyl)-N-methylbut-2-en-1-imine
CID 91411667
2-chloro-6-ethyl-4H-azepine
CID 91584259
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
(E)-2-chloro-N-methylbut-2-en-1-imine
CID 123205843
3-chloro-N,2-dimethylbut-2-en-1-imine
CID 123264521

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine?
The IUPAC name of (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine (CID 142097749) is (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine is C=C(Cl)/N=C\C(C)=C/C.
What is the InChIKey of (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine?
The InChIKey is RLHTYAKIXMWTCL-QQCDKKIISA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-6(2)5-9-7(3)8/h4-5H,3H2,1-2H3/b6-4-,9-5-.
What are the key properties of (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine?
(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine is sourced from PubChem (CID 142097749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).