(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride

C5H6Cl2N2 — CID 173280661

IUPAC(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride
SMILESC=C(Cl)N=C(Cl)/C=C\N
InChIInChI=1S/C5H6Cl2N2/c1-4(6)9-5(7)2-3-8/h2-3H,1,8H2/b3-2-,9-5?
InChIKeyQPDKJJOAKSGJHU-HKAVZHLXSA-N
MW165.02 g/mol
LogP1.81
Rot. Bonds2

About (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride

(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride (PubChem CID 173280661) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride
PubChem CID173280661
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride
SMILESC=C(Cl)N=C(Cl)/C=C\N
InChIInChI=1S/C5H6Cl2N2/c1-4(6)9-5(7)2-3-8/h2-3H,1,8H2/b3-2-,9-5?
InChIKeyQPDKJJOAKSGJHU-HKAVZHLXSA-N
XLogP1.81
TPSA38.38 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride (CID 173280661) is (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride is C=C(Cl)N=C(Cl)/C=C\N.
What is the InChIKey of (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
The InChIKey is QPDKJJOAKSGJHU-HKAVZHLXSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-4(6)9-5(7)2-3-8/h2-3H,1,8H2/b3-2-,9-5?.
What are the key properties of (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride?
(Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride has a molecular weight of 165.02 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1-chloroethenyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 173280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).