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

C5H8ClN3 — CID 173022754

IUPAC(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
SMILESC=C(N)N=C(Cl)/C=C\N
InChIInChI=1S/C5H8ClN3/c1-4(8)9-5(6)2-3-7/h2-3H,1,7-8H2/b3-2-,9-5?
InChIKeyQOJNLIMTCQTPDJ-HKAVZHLXSA-N
MW145.59 g/mol
LogP0.53
Rot. Bonds2

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

(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride (PubChem CID 173022754) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
PubChem CID173022754
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
SMILESC=C(N)N=C(Cl)/C=C\N
InChIInChI=1S/C5H8ClN3/c1-4(8)9-5(6)2-3-7/h2-3H,1,7-8H2/b3-2-,9-5?
InChIKeyQOJNLIMTCQTPDJ-HKAVZHLXSA-N
XLogP0.53
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride (CID 173022754) is (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride is C=C(N)N=C(Cl)/C=C\N.
What is the InChIKey of (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride?
The InChIKey is QOJNLIMTCQTPDJ-HKAVZHLXSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-4(8)9-5(6)2-3-7/h2-3H,1,7-8H2/b3-2-,9-5?.
What are the key properties of (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride?
(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride has a molecular weight of 145.59 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 173022754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).