N-prop-2-enylpropanimidoyl chloride

C6H10ClN — CID 134988374

IUPACN-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)CC
InChIInChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3/b8-6-
InChIKeyIVNZCVKLONKKMB-VURMDHGXSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds3

About N-prop-2-enylpropanimidoyl chloride

N-prop-2-enylpropanimidoyl chloride (PubChem CID 134988374) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-prop-2-enylpropanimidoyl chloride.

Molecular Properties

Compound NameN-prop-2-enylpropanimidoyl chloride
PubChem CID134988374
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)CC
InChIInChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3/b8-6-
InChIKeyIVNZCVKLONKKMB-VURMDHGXSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride
CID 10888197
N-prop-2-enylethanimidoyl chloride
CID 134920005
2-Methyl-N-2-propen-1-ylpropanimidoyl chloride
CID 134920006
N-prop-2-enylbut-3-enimidoyl chloride;hydrochloride
CID 173079609
3-chloro-N-prop-2-enylbutan-2-imine
CID 12809165
(1E)-2-Chloro-2-methyl-N-(prop-2-en-1-yl)propan-1-imine
CID 15632332
N-prop-2-enylbut-3-enimidoyl chloride
CID 87437875
2-chloro-N-prop-2-enylpropan-1-imine
CID 129993509
N-[(Z)-prop-1-enyl]propanimidoyl chloride
CID 169205029

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpropanimidoyl chloride?
The IUPAC name of N-prop-2-enylpropanimidoyl chloride (CID 134988374) is N-prop-2-enylpropanimidoyl chloride.
What is the SMILES notation for N-prop-2-enylpropanimidoyl chloride?
The canonical SMILES for N-prop-2-enylpropanimidoyl chloride is C=CC/N=C(\Cl)CC.
What is the InChIKey of N-prop-2-enylpropanimidoyl chloride?
The InChIKey is IVNZCVKLONKKMB-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3/b8-6-.
What are the key properties of N-prop-2-enylpropanimidoyl chloride?
N-prop-2-enylpropanimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpropanimidoyl chloride is sourced from PubChem (CID 134988374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).