(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride

C5H6Cl2N2 — CID 170133339

IUPAC(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\N=C(/C)Cl
InChIInChI=1S/C5H6Cl2N2/c1-4(6)9-3-2-5(7)8/h2-3,8H,1H3/b3-2-,8-5-,9-4+
InChIKeyBJQKTYONHXOYKY-DRLTZUDVSA-N
MW165.02 g/mol
LogP2.37
Rot. Bonds2

About (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride

(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride (PubChem CID 170133339) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride
PubChem CID170133339
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\N=C(/C)Cl
InChIInChI=1S/C5H6Cl2N2/c1-4(6)9-3-2-5(7)8/h2-3,8H,1H3/b3-2-,8-5-,9-4+
InChIKeyBJQKTYONHXOYKY-DRLTZUDVSA-N
XLogP2.37
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.37
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 (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride (CID 170133339) is (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\N=C(/C)Cl.
What is the InChIKey of (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride?
The InChIKey is BJQKTYONHXOYKY-DRLTZUDVSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-4(6)9-3-2-5(7)8/h2-3,8H,1H3/b3-2-,8-5-,9-4+.
What are the key properties of (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride?
(Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride has a molecular weight of 165.02 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-chloroethylideneamino)prop-2-enimidoyl chloride is sourced from PubChem (CID 170133339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).