2-ethenylbut-3-enylurea

C7H12N2O — CID 87783517

IUPAC2-ethenylbut-3-enylurea
SMILESC=CC(C=C)CNC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(4-2)5-9-7(8)10/h3-4,6H,1-2,5H2,(H3,8,9,10)
InChIKeyJUHFHQZMPOGNSL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.64
Rot. Bonds4

About 2-ethenylbut-3-enylurea

2-ethenylbut-3-enylurea (PubChem CID 87783517) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-ethenylbut-3-enylurea.

Molecular Properties

Compound Name2-ethenylbut-3-enylurea
PubChem CID87783517
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-ethenylbut-3-enylurea
SMILESC=CC(C=C)CNC(N)=O
InChIInChI=1S/C7H12N2O/c1-3-6(4-2)5-9-7(8)10/h3-4,6H,1-2,5H2,(H3,8,9,10)
InChIKeyJUHFHQZMPOGNSL-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylbut-3-enylurea?
The IUPAC name of 2-ethenylbut-3-enylurea (CID 87783517) is 2-ethenylbut-3-enylurea.
What is the SMILES notation for 2-ethenylbut-3-enylurea?
The canonical SMILES for 2-ethenylbut-3-enylurea is C=CC(C=C)CNC(N)=O.
What is the InChIKey of 2-ethenylbut-3-enylurea?
The InChIKey is JUHFHQZMPOGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(4-2)5-9-7(8)10/h3-4,6H,1-2,5H2,(H3,8,9,10).
What are the key properties of 2-ethenylbut-3-enylurea?
2-ethenylbut-3-enylurea has a molecular weight of 140.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylbut-3-enylurea is sourced from PubChem (CID 87783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).