(E)-4-chloropent-3-en-2-imine

C5H8ClN — CID 91151084

IUPAC(E)-4-chloropent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-4(6)3-5(2)7/h3,7H,1-2H3/b4-3+,7-5+
InChIKeyHURMVMZIYPESSJ-BDWKERMESA-N
MW117.58 g/mol
LogP2.17
Rot. Bonds1

About (E)-4-chloropent-3-en-2-imine

(E)-4-chloropent-3-en-2-imine (PubChem CID 91151084) has the molecular formula C5H8ClN and a molecular weight of 117.58 g/mol. Its IUPAC name is (E)-4-chloropent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-chloropent-3-en-2-imine
PubChem CID91151084
Molecular FormulaC5H8ClN
Molecular Weight117.58 g/mol
Exact Mass117.03
IUPAC Name(E)-4-chloropent-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C)Cl
InChIInChI=1S/C5H8ClN/c1-4(6)3-5(2)7/h3,7H,1-2H3/b4-3+,7-5+
InChIKeyHURMVMZIYPESSJ-BDWKERMESA-N
XLogP2.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.58
LogP ≤ 52.17
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)-4-chloropent-3-en-2-imine?
The IUPAC name of (E)-4-chloropent-3-en-2-imine (CID 91151084) is (E)-4-chloropent-3-en-2-imine.
What is the SMILES notation for (E)-4-chloropent-3-en-2-imine?
The canonical SMILES for (E)-4-chloropent-3-en-2-imine is [H]/N=C(C)/C=C(\C)Cl.
What is the InChIKey of (E)-4-chloropent-3-en-2-imine?
The InChIKey is HURMVMZIYPESSJ-BDWKERMESA-N. The full InChI is InChI=1S/C5H8ClN/c1-4(6)3-5(2)7/h3,7H,1-2H3/b4-3+,7-5+.
What are the key properties of (E)-4-chloropent-3-en-2-imine?
(E)-4-chloropent-3-en-2-imine has a molecular weight of 117.58 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloropent-3-en-2-imine is sourced from PubChem (CID 91151084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).