(Z)-4-imino-6-oxohex-2-enimidoyl chloride

C6H7ClN2O — CID 176672347

IUPAC(Z)-4-imino-6-oxohex-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(CC=O)=N\[H]
InChIInChI=1S/C6H7ClN2O/c7-6(9)2-1-5(8)3-4-10/h1-2,4,8-9H,3H2/b2-1-,8-5-,9-6-
InChIKeyQMBXDHAAEQKTAG-PFUCWIOPSA-N
MW158.59 g/mol
LogP1.37
Rot. Bonds4

About (Z)-4-imino-6-oxohex-2-enimidoyl chloride

(Z)-4-imino-6-oxohex-2-enimidoyl chloride (PubChem CID 176672347) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (Z)-4-imino-6-oxohex-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-imino-6-oxohex-2-enimidoyl chloride
PubChem CID176672347
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(Z)-4-imino-6-oxohex-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(CC=O)=N\[H]
InChIInChI=1S/C6H7ClN2O/c7-6(9)2-1-5(8)3-4-10/h1-2,4,8-9H,3H2/b2-1-,8-5-,9-6-
InChIKeyQMBXDHAAEQKTAG-PFUCWIOPSA-N
XLogP1.37
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-6-oxohex-2-enimidoyl chloride?
The IUPAC name of (Z)-4-imino-6-oxohex-2-enimidoyl chloride (CID 176672347) is (Z)-4-imino-6-oxohex-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-imino-6-oxohex-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-imino-6-oxohex-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(CC=O)=N\[H].
What is the InChIKey of (Z)-4-imino-6-oxohex-2-enimidoyl chloride?
The InChIKey is QMBXDHAAEQKTAG-PFUCWIOPSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-6(9)2-1-5(8)3-4-10/h1-2,4,8-9H,3H2/b2-1-,8-5-,9-6-.
What are the key properties of (Z)-4-imino-6-oxohex-2-enimidoyl chloride?
(Z)-4-imino-6-oxohex-2-enimidoyl chloride has a molecular weight of 158.59 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-6-oxohex-2-enimidoyl chloride is sourced from PubChem (CID 176672347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).