(E)-3-methylpent-2-enimidoyl chloride

C6H10ClN — CID 126628770

IUPAC(E)-3-methylpent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\C)CC
InChIInChI=1S/C6H10ClN/c1-3-5(2)4-6(7)8/h4,8H,3H2,1-2H3/b5-4+,8-6-
InChIKeyRPNGITJFBAJEDR-LMJRQTCTSA-N
MW131.61 g/mol
LogP2.56
Rot. Bonds2

About (E)-3-methylpent-2-enimidoyl chloride

(E)-3-methylpent-2-enimidoyl chloride (PubChem CID 126628770) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is (E)-3-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-3-methylpent-2-enimidoyl chloride
PubChem CID126628770
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name(E)-3-methylpent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(\C)CC
InChIInChI=1S/C6H10ClN/c1-3-5(2)4-6(7)8/h4,8H,3H2,1-2H3/b5-4+,8-6-
InChIKeyRPNGITJFBAJEDR-LMJRQTCTSA-N
XLogP2.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
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)-3-methylpent-2-enimidoyl chloride?
The IUPAC name of (E)-3-methylpent-2-enimidoyl chloride (CID 126628770) is (E)-3-methylpent-2-enimidoyl chloride.
What is the SMILES notation for (E)-3-methylpent-2-enimidoyl chloride?
The canonical SMILES for (E)-3-methylpent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(\C)CC.
What is the InChIKey of (E)-3-methylpent-2-enimidoyl chloride?
The InChIKey is RPNGITJFBAJEDR-LMJRQTCTSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-5(2)4-6(7)8/h4,8H,3H2,1-2H3/b5-4+,8-6-.
What are the key properties of (E)-3-methylpent-2-enimidoyl chloride?
(E)-3-methylpent-2-enimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 126628770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).