(Z)-N-propan-2-ylbut-2-enimidoyl chloride

C7H12ClN — CID 130307030

IUPAC(Z)-N-propan-2-ylbut-2-enimidoyl chloride
SMILESC/C=C\C(Cl)=N\C(C)C
InChIInChI=1S/C7H12ClN/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4-,9-7-
InChIKeyYRWRTPLINOSVFE-PHSHQRSZSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds2

About (Z)-N-propan-2-ylbut-2-enimidoyl chloride

(Z)-N-propan-2-ylbut-2-enimidoyl chloride (PubChem CID 130307030) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-N-propan-2-ylbut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-N-propan-2-ylbut-2-enimidoyl chloride
PubChem CID130307030
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-N-propan-2-ylbut-2-enimidoyl chloride
SMILESC/C=C\C(Cl)=N\C(C)C
InChIInChI=1S/C7H12ClN/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4-,9-7-
InChIKeyYRWRTPLINOSVFE-PHSHQRSZSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N-propan-2-ylbut-2-enimidoyl chloride?
The IUPAC name of (Z)-N-propan-2-ylbut-2-enimidoyl chloride (CID 130307030) is (Z)-N-propan-2-ylbut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-N-propan-2-ylbut-2-enimidoyl chloride?
The canonical SMILES for (Z)-N-propan-2-ylbut-2-enimidoyl chloride is C/C=C\C(Cl)=N\C(C)C.
What is the InChIKey of (Z)-N-propan-2-ylbut-2-enimidoyl chloride?
The InChIKey is YRWRTPLINOSVFE-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4-,9-7-.
What are the key properties of (Z)-N-propan-2-ylbut-2-enimidoyl chloride?
(Z)-N-propan-2-ylbut-2-enimidoyl chloride has a molecular weight of 145.63 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-ylbut-2-enimidoyl chloride is sourced from PubChem (CID 130307030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).