(E)-3-chloro-4-iminopent-2-en-2-amine

C5H9ClN2 — CID 143061524

IUPAC(E)-3-chloro-4-iminopent-2-en-2-amine
SMILES[H]/N=C(C)/C(Cl)=C(/C)N
InChIInChI=1S/C5H9ClN2/c1-3(7)5(6)4(2)8/h7H,8H2,1-2H3/b5-4+,7-3+
InChIKeyINEUPZBJEJDUOL-JLVHPEPXSA-N
MW132.59 g/mol
LogP1.46
Rot. Bonds1

About (E)-3-chloro-4-iminopent-2-en-2-amine

(E)-3-chloro-4-iminopent-2-en-2-amine (PubChem CID 143061524) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (E)-3-chloro-4-iminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-chloro-4-iminopent-2-en-2-amine
PubChem CID143061524
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(E)-3-chloro-4-iminopent-2-en-2-amine
SMILES[H]/N=C(C)/C(Cl)=C(/C)N
InChIInChI=1S/C5H9ClN2/c1-3(7)5(6)4(2)8/h7H,8H2,1-2H3/b5-4+,7-3+
InChIKeyINEUPZBJEJDUOL-JLVHPEPXSA-N
XLogP1.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chloro-4-iminopent-2-en-2-amine?
The IUPAC name of (E)-3-chloro-4-iminopent-2-en-2-amine (CID 143061524) is (E)-3-chloro-4-iminopent-2-en-2-amine.
What is the SMILES notation for (E)-3-chloro-4-iminopent-2-en-2-amine?
The canonical SMILES for (E)-3-chloro-4-iminopent-2-en-2-amine is [H]/N=C(C)/C(Cl)=C(/C)N.
What is the InChIKey of (E)-3-chloro-4-iminopent-2-en-2-amine?
The InChIKey is INEUPZBJEJDUOL-JLVHPEPXSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-3(7)5(6)4(2)8/h7H,8H2,1-2H3/b5-4+,7-3+.
What are the key properties of (E)-3-chloro-4-iminopent-2-en-2-amine?
(E)-3-chloro-4-iminopent-2-en-2-amine has a molecular weight of 132.59 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4-iminopent-2-en-2-amine is sourced from PubChem (CID 143061524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).