(E)-N-butan-2-ylpent-2-enimidoyl chloride

C9H16ClN — CID 88602492

IUPAC(E)-N-butan-2-ylpent-2-enimidoyl chloride
SMILESCC/C=C/C(Cl)=N/C(C)CC
InChIInChI=1S/C9H16ClN/c1-4-6-7-9(10)11-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+,11-9-
InChIKeyBOAMNEXJHQMYQI-FKTQTOOFSA-N
MW173.69 g/mol
LogP3.39
Rot. Bonds4

About (E)-N-butan-2-ylpent-2-enimidoyl chloride

(E)-N-butan-2-ylpent-2-enimidoyl chloride (PubChem CID 88602492) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is (E)-N-butan-2-ylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-N-butan-2-ylpent-2-enimidoyl chloride
PubChem CID88602492
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name(E)-N-butan-2-ylpent-2-enimidoyl chloride
SMILESCC/C=C/C(Cl)=N/C(C)CC
InChIInChI=1S/C9H16ClN/c1-4-6-7-9(10)11-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+,11-9-
InChIKeyBOAMNEXJHQMYQI-FKTQTOOFSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.39
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 (E)-N-butan-2-ylpent-2-enimidoyl chloride?
The IUPAC name of (E)-N-butan-2-ylpent-2-enimidoyl chloride (CID 88602492) is (E)-N-butan-2-ylpent-2-enimidoyl chloride.
What is the SMILES notation for (E)-N-butan-2-ylpent-2-enimidoyl chloride?
The canonical SMILES for (E)-N-butan-2-ylpent-2-enimidoyl chloride is CC/C=C/C(Cl)=N/C(C)CC.
What is the InChIKey of (E)-N-butan-2-ylpent-2-enimidoyl chloride?
The InChIKey is BOAMNEXJHQMYQI-FKTQTOOFSA-N. The full InChI is InChI=1S/C9H16ClN/c1-4-6-7-9(10)11-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+,11-9-.
What are the key properties of (E)-N-butan-2-ylpent-2-enimidoyl chloride?
(E)-N-butan-2-ylpent-2-enimidoyl chloride has a molecular weight of 173.69 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-ylpent-2-enimidoyl chloride is sourced from PubChem (CID 88602492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).