(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride

C6H10ClNO — CID 123995117

IUPAC(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C)C(C)O
InChIInChI=1S/C6H10ClNO/c1-3-5(4(2)9)6(7)8/h3-4,8-9H,1-2H3/b5-3-,8-6-
InChIKeyXEUKACGRKQCHIX-NIOMPZRHSA-N
MW147.60 g/mol
LogP1.53
Rot. Bonds2

About (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride

(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride (PubChem CID 123995117) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
PubChem CID123995117
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C\C)C(C)O
InChIInChI=1S/C6H10ClNO/c1-3-5(4(2)9)6(7)8/h3-4,8-9H,1-2H3/b5-3-,8-6-
InChIKeyXEUKACGRKQCHIX-NIOMPZRHSA-N
XLogP1.53
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.53
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)-2-(1-hydroxyethyl)but-2-enimidoyl chloride?
The IUPAC name of (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride (CID 123995117) is (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride.
What is the SMILES notation for (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride?
The canonical SMILES for (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride is [H]/N=C(Cl)/C(=C\C)C(C)O.
What is the InChIKey of (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride?
The InChIKey is XEUKACGRKQCHIX-NIOMPZRHSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-3-5(4(2)9)6(7)8/h3-4,8-9H,1-2H3/b5-3-,8-6-.
What are the key properties of (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride?
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride has a molecular weight of 147.60 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride is sourced from PubChem (CID 123995117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).