(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride

C7H12ClNO — CID 139576170

IUPAC(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride
SMILESC/N=C(Cl)/C(O)=C/C(C)C
InChIInChI=1S/C7H12ClNO/c1-5(2)4-6(10)7(8)9-3/h4-5,10H,1-3H3/b6-4-,9-7-
InChIKeyBBFIJGYRKPQBSU-PJPBHMPJSA-N
MW161.63 g/mol
LogP2.35
Rot. Bonds2

About (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride

(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride (PubChem CID 139576170) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride
PubChem CID139576170
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride
SMILESC/N=C(Cl)/C(O)=C/C(C)C
InChIInChI=1S/C7H12ClNO/c1-5(2)4-6(10)7(8)9-3/h4-5,10H,1-3H3/b6-4-,9-7-
InChIKeyBBFIJGYRKPQBSU-PJPBHMPJSA-N
XLogP2.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride?
The IUPAC name of (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride (CID 139576170) is (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride?
The canonical SMILES for (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride is C/N=C(Cl)/C(O)=C/C(C)C.
What is the InChIKey of (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride?
The InChIKey is BBFIJGYRKPQBSU-PJPBHMPJSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5(2)4-6(10)7(8)9-3/h4-5,10H,1-3H3/b6-4-,9-7-.
What are the key properties of (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride?
(Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N,4-dimethylpent-2-enimidoyl chloride is sourced from PubChem (CID 139576170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).