2-ethenyliminobut-3-en-1-amine

C6H10N2 — CID 89187037

IUPAC2-ethenyliminobut-3-en-1-amine
SMILESC=C/N=C(\C=C)CN
InChIInChI=1S/C6H10N2/c1-3-6(5-7)8-4-2/h3-4H,1-2,5,7H2/b8-6+
InChIKeyAIZRWYRYHKTQNR-SOFGYWHQSA-N
MW110.16 g/mol
LogP0.72
Rot. Bonds3

About 2-ethenyliminobut-3-en-1-amine

2-ethenyliminobut-3-en-1-amine (PubChem CID 89187037) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-ethenyliminobut-3-en-1-amine.

Molecular Properties

Compound Name2-ethenyliminobut-3-en-1-amine
PubChem CID89187037
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-ethenyliminobut-3-en-1-amine
SMILESC=C/N=C(\C=C)CN
InChIInChI=1S/C6H10N2/c1-3-6(5-7)8-4-2/h3-4H,1-2,5,7H2/b8-6+
InChIKeyAIZRWYRYHKTQNR-SOFGYWHQSA-N
XLogP0.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 2-ethenyliminobut-3-en-1-amine?
The IUPAC name of 2-ethenyliminobut-3-en-1-amine (CID 89187037) is 2-ethenyliminobut-3-en-1-amine.
What is the SMILES notation for 2-ethenyliminobut-3-en-1-amine?
The canonical SMILES for 2-ethenyliminobut-3-en-1-amine is C=C/N=C(\C=C)CN.
What is the InChIKey of 2-ethenyliminobut-3-en-1-amine?
The InChIKey is AIZRWYRYHKTQNR-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(5-7)8-4-2/h3-4H,1-2,5,7H2/b8-6+.
What are the key properties of 2-ethenyliminobut-3-en-1-amine?
2-ethenyliminobut-3-en-1-amine has a molecular weight of 110.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyliminobut-3-en-1-amine is sourced from PubChem (CID 89187037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).