2-methyl-N-prop-2-enylpropanimidoyl chloride

C7H12ClN — CID 134920006

IUPAC2-methyl-N-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)C(C)C
InChIInChI=1S/C7H12ClN/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3/b9-7-
InChIKeyMPZONYHLJIMRPI-CLFYSBASSA-N
MW145.63 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-N-prop-2-enylpropanimidoyl chloride

2-methyl-N-prop-2-enylpropanimidoyl chloride (PubChem CID 134920006) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpropanimidoyl chloride.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpropanimidoyl chloride
PubChem CID134920006
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name2-methyl-N-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)C(C)C
InChIInChI=1S/C7H12ClN/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3/b9-7-
InChIKeyMPZONYHLJIMRPI-CLFYSBASSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.47
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'}

Analyze 2-methyl-N-prop-2-enylpropanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpropanimidoyl chloride?
The IUPAC name of 2-methyl-N-prop-2-enylpropanimidoyl chloride (CID 134920006) is 2-methyl-N-prop-2-enylpropanimidoyl chloride.
What is the SMILES notation for 2-methyl-N-prop-2-enylpropanimidoyl chloride?
The canonical SMILES for 2-methyl-N-prop-2-enylpropanimidoyl chloride is C=CC/N=C(\Cl)C(C)C.
What is the InChIKey of 2-methyl-N-prop-2-enylpropanimidoyl chloride?
The InChIKey is MPZONYHLJIMRPI-CLFYSBASSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3/b9-7-.
What are the key properties of 2-methyl-N-prop-2-enylpropanimidoyl chloride?
2-methyl-N-prop-2-enylpropanimidoyl chloride has a molecular weight of 145.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpropanimidoyl chloride is sourced from PubChem (CID 134920006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).