N-prop-2-enylbut-3-enimidoyl chloride

C7H10ClN — CID 87437875

IUPACN-prop-2-enylbut-3-enimidoyl chloride
SMILESC=CC/N=C(\Cl)CC=C
InChIInChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2/b9-7-
InChIKeyAQMOBIBIGSXIFZ-CLFYSBASSA-N
MW143.62 g/mol
LogP2.39
Rot. Bonds4

About N-prop-2-enylbut-3-enimidoyl chloride

N-prop-2-enylbut-3-enimidoyl chloride (PubChem CID 87437875) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-prop-2-enylbut-3-enimidoyl chloride.

Molecular Properties

Compound NameN-prop-2-enylbut-3-enimidoyl chloride
PubChem CID87437875
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-prop-2-enylbut-3-enimidoyl chloride
SMILESC=CC/N=C(\Cl)CC=C
InChIInChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2/b9-7-
InChIKeyAQMOBIBIGSXIFZ-CLFYSBASSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.39
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-Methyl-N-2-propen-1-ylpropanimidoyl chloride
CID 134920006
N-prop-2-enylpropanimidoyl chloride
CID 134988374
N-but-3-en-2-ylethanimidoyl chloride
CID 131999393
N-prop-2-enylbut-3-enimidoyl chloride;hydrochloride
CID 173079609

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbut-3-enimidoyl chloride?
The IUPAC name of N-prop-2-enylbut-3-enimidoyl chloride (CID 87437875) is N-prop-2-enylbut-3-enimidoyl chloride.
What is the SMILES notation for N-prop-2-enylbut-3-enimidoyl chloride?
The canonical SMILES for N-prop-2-enylbut-3-enimidoyl chloride is C=CC/N=C(\Cl)CC=C.
What is the InChIKey of N-prop-2-enylbut-3-enimidoyl chloride?
The InChIKey is AQMOBIBIGSXIFZ-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2/b9-7-.
What are the key properties of N-prop-2-enylbut-3-enimidoyl chloride?
N-prop-2-enylbut-3-enimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbut-3-enimidoyl chloride is sourced from PubChem (CID 87437875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).