(Z)-4-iminopent-2-enimidoyl chloride

C5H7ClN2 — CID 58485320

IUPAC(Z)-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(C)=N\[H]
InChIInChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2-,7-4+,8-5-
InChIKeyUVCFPCOKEMMFQK-ZZCSMPLHSA-N
MW130.58 g/mol
LogP1.80
Rot. Bonds2

About (Z)-4-iminopent-2-enimidoyl chloride

(Z)-4-iminopent-2-enimidoyl chloride (PubChem CID 58485320) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is (Z)-4-iminopent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-iminopent-2-enimidoyl chloride
PubChem CID58485320
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name(Z)-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(C)=N\[H]
InChIInChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2-,7-4+,8-5-
InChIKeyUVCFPCOKEMMFQK-ZZCSMPLHSA-N
XLogP1.80
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
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)-4-iminopent-2-enimidoyl chloride?
The IUPAC name of (Z)-4-iminopent-2-enimidoyl chloride (CID 58485320) is (Z)-4-iminopent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-iminopent-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-iminopent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(C)=N\[H].
What is the InChIKey of (Z)-4-iminopent-2-enimidoyl chloride?
The InChIKey is UVCFPCOKEMMFQK-ZZCSMPLHSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4(7)2-3-5(6)8/h2-3,7-8H,1H3/b3-2-,7-4+,8-5-.
What are the key properties of (Z)-4-iminopent-2-enimidoyl chloride?
(Z)-4-iminopent-2-enimidoyl chloride has a molecular weight of 130.58 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminopent-2-enimidoyl chloride is sourced from PubChem (CID 58485320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).