3-amino-N-methylprop-2-enimidoyl chloride

C4H7ClN2 — CID 173475572

IUPAC3-amino-N-methylprop-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=CN
InChIInChI=1S/C4H7ClN2/c1-7-4(5)2-3-6/h2-3H,6H2,1H3/b3-2?,7-4-
InChIKeyFAXJYQKTJUSWHZ-JZABDGQBSA-N
MW118.57 g/mol
LogP0.73
Rot. Bonds1

About 3-amino-N-methylprop-2-enimidoyl chloride

3-amino-N-methylprop-2-enimidoyl chloride (PubChem CID 173475572) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is 3-amino-N-methylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name3-amino-N-methylprop-2-enimidoyl chloride
PubChem CID173475572
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name3-amino-N-methylprop-2-enimidoyl chloride
SMILESC/N=C(\Cl)C=CN
InChIInChI=1S/C4H7ClN2/c1-7-4(5)2-3-6/h2-3H,6H2,1H3/b3-2?,7-4-
InChIKeyFAXJYQKTJUSWHZ-JZABDGQBSA-N
XLogP0.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylprop-2-enimidoyl chloride?
The IUPAC name of 3-amino-N-methylprop-2-enimidoyl chloride (CID 173475572) is 3-amino-N-methylprop-2-enimidoyl chloride.
What is the SMILES notation for 3-amino-N-methylprop-2-enimidoyl chloride?
The canonical SMILES for 3-amino-N-methylprop-2-enimidoyl chloride is C/N=C(\Cl)C=CN.
What is the InChIKey of 3-amino-N-methylprop-2-enimidoyl chloride?
The InChIKey is FAXJYQKTJUSWHZ-JZABDGQBSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-7-4(5)2-3-6/h2-3H,6H2,1H3/b3-2?,7-4-.
What are the key properties of 3-amino-N-methylprop-2-enimidoyl chloride?
3-amino-N-methylprop-2-enimidoyl chloride has a molecular weight of 118.57 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylprop-2-enimidoyl chloride is sourced from PubChem (CID 173475572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).