N-[(Z)-prop-1-enyl]propanimidoyl chloride

C6H10ClN — CID 169205029

IUPACN-[(Z)-prop-1-enyl]propanimidoyl chloride
SMILESC/C=C\N=C(/Cl)CC
InChIInChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3,5H,4H2,1-2H3/b5-3-,8-6-
InChIKeyJIDNSJDFSDAQNE-NIOMPZRHSA-N
MW131.61 g/mol
LogP2.57
Rot. Bonds2

About N-[(Z)-prop-1-enyl]propanimidoyl chloride

N-[(Z)-prop-1-enyl]propanimidoyl chloride (PubChem CID 169205029) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-[(Z)-prop-1-enyl]propanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-prop-1-enyl]propanimidoyl chloride
PubChem CID169205029
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-[(Z)-prop-1-enyl]propanimidoyl chloride
SMILESC/C=C\N=C(/Cl)CC
InChIInChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3,5H,4H2,1-2H3/b5-3-,8-6-
InChIKeyJIDNSJDFSDAQNE-NIOMPZRHSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-prop-1-enyl]propanimidoyl chloride 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-prop-2-enylpropanimidoyl chloride
CID 134988374
2-chloro-3H-pyrrole
CID 58270611
N-ethenylpropanimidoyl chloride
CID 88922327
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
N-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 123302695
N-prop-1-enylbut-2-enimidoyl chloride
CID 123346450
N-(3-chlorobuta-1,3-dienyl)butan-2-imine
CID 123477006
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
CID 123553700
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
N-prop-1-enylprop-2-enimidoyl chloride
CID 123895156

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-prop-1-enyl]propanimidoyl chloride?
The IUPAC name of N-[(Z)-prop-1-enyl]propanimidoyl chloride (CID 169205029) is N-[(Z)-prop-1-enyl]propanimidoyl chloride.
What is the SMILES notation for N-[(Z)-prop-1-enyl]propanimidoyl chloride?
The canonical SMILES for N-[(Z)-prop-1-enyl]propanimidoyl chloride is C/C=C\N=C(/Cl)CC.
What is the InChIKey of N-[(Z)-prop-1-enyl]propanimidoyl chloride?
The InChIKey is JIDNSJDFSDAQNE-NIOMPZRHSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3,5H,4H2,1-2H3/b5-3-,8-6-.
What are the key properties of N-[(Z)-prop-1-enyl]propanimidoyl chloride?
N-[(Z)-prop-1-enyl]propanimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-prop-1-enyl]propanimidoyl chloride is sourced from PubChem (CID 169205029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).