N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine

C7H10ClN — CID 143182223

IUPACN-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine
SMILESC=C(Cl)/C=N/C(C)=C\C
InChIInChI=1S/C7H10ClN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+
InChIKeyMPZWCYGOOJSCHN-ICDOWURLSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine

N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine (PubChem CID 143182223) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine
PubChem CID143182223
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine
SMILESC=C(Cl)/C=N/C(C)=C\C
InChIInChI=1S/C7H10ClN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+
InChIKeyMPZWCYGOOJSCHN-ICDOWURLSA-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'}

Analyze N-[(Z)-but-2-en-2-yl]-2-chloroprop-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-[(Z)-but-2-en-2-yl]-2-fluoroprop-2-en-1-imine
CID 142931568
(E)-2-chloro-3-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 143156556
(E)-2-fluoro-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144406116
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
N-but-2-en-2-ylethanimine
CID 20749343
N-[(Z)-but-2-en-2-yl]prop-2-en-1-imine
CID 88267194
(Z)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 88279994
CID 88281758
CID 88281758
2-chloro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89277714
(Z)-N-methyl-3-(methylideneamino)but-2-enimidoyl chloride
CID 89278892
N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
CID 89384307
2-chloro-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 89595732

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine (CID 143182223) is N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine is C=C(Cl)/C=N/C(C)=C\C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine?
The InChIKey is MPZWCYGOOJSCHN-ICDOWURLSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-7(3)9-5-6(2)8/h4-5H,2H2,1,3H3/b7-4-,9-5+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine?
N-[(Z)-but-2-en-2-yl]-2-chloroprop-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 N-[(Z)-but-2-en-2-yl]-2-chloroprop-2-en-1-imine is sourced from PubChem (CID 143182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).