(E)-5-chloropent-4-en-2-yn-1-amine

C5H6ClN — CID 131240519

IUPAC(E)-5-chloropent-4-en-2-yn-1-amine
SMILESNCC#C/C=C/Cl
InChIInChI=1S/C5H6ClN/c6-4-2-1-3-5-7/h2,4H,5,7H2/b4-2+
InChIKeyJJZJXWWXJXXFAC-DUXPYHPUSA-N
MW115.56 g/mol
LogP0.70
Rot. Bonds

About (E)-5-chloropent-4-en-2-yn-1-amine

(E)-5-chloropent-4-en-2-yn-1-amine (PubChem CID 131240519) has the molecular formula C5H6ClN and a molecular weight of 115.56 g/mol. Its IUPAC name is (E)-5-chloropent-4-en-2-yn-1-amine.

Molecular Properties

Compound Name(E)-5-chloropent-4-en-2-yn-1-amine
PubChem CID131240519
Molecular FormulaC5H6ClN
Molecular Weight115.56 g/mol
Exact Mass115.02
IUPAC Name(E)-5-chloropent-4-en-2-yn-1-amine
SMILESNCC#C/C=C/Cl
InChIInChI=1S/C5H6ClN/c6-4-2-1-3-5-7/h2,4H,5,7H2/b4-2+
InChIKeyJJZJXWWXJXXFAC-DUXPYHPUSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.56
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-chloropent-4-en-2-yn-1-amine?
The IUPAC name of (E)-5-chloropent-4-en-2-yn-1-amine (CID 131240519) is (E)-5-chloropent-4-en-2-yn-1-amine.
What is the SMILES notation for (E)-5-chloropent-4-en-2-yn-1-amine?
The canonical SMILES for (E)-5-chloropent-4-en-2-yn-1-amine is NCC#C/C=C/Cl.
What is the InChIKey of (E)-5-chloropent-4-en-2-yn-1-amine?
The InChIKey is JJZJXWWXJXXFAC-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H6ClN/c6-4-2-1-3-5-7/h2,4H,5,7H2/b4-2+.
What are the key properties of (E)-5-chloropent-4-en-2-yn-1-amine?
(E)-5-chloropent-4-en-2-yn-1-amine has a molecular weight of 115.56 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloropent-4-en-2-yn-1-amine is sourced from PubChem (CID 131240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).