1-ethenyl-3-propylideneurea

C6H10N2O — CID 141024424

IUPAC1-ethenyl-3-propylideneurea
SMILESC=CNC(=O)N=CCC
InChIInChI=1S/C6H10N2O/c1-3-5-8-6(9)7-4-2/h4-5H,2-3H2,1H3,(H,7,9)
InChIKeySLBZNXXKAAYXLM-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.32
Rot. Bonds2

About 1-ethenyl-3-propylideneurea

1-ethenyl-3-propylideneurea (PubChem CID 141024424) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-ethenyl-3-propylideneurea.

Molecular Properties

Compound Name1-ethenyl-3-propylideneurea
PubChem CID141024424
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-ethenyl-3-propylideneurea
SMILESC=CNC(=O)N=CCC
InChIInChI=1S/C6H10N2O/c1-3-5-8-6(9)7-4-2/h4-5H,2-3H2,1H3,(H,7,9)
InChIKeySLBZNXXKAAYXLM-UHFFFAOYSA-N
XLogP1.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.32
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 1-ethenyl-3-propylideneurea?
The IUPAC name of 1-ethenyl-3-propylideneurea (CID 141024424) is 1-ethenyl-3-propylideneurea.
What is the SMILES notation for 1-ethenyl-3-propylideneurea?
The canonical SMILES for 1-ethenyl-3-propylideneurea is C=CNC(=O)N=CCC.
What is the InChIKey of 1-ethenyl-3-propylideneurea?
The InChIKey is SLBZNXXKAAYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-8-6(9)7-4-2/h4-5H,2-3H2,1H3,(H,7,9).
What are the key properties of 1-ethenyl-3-propylideneurea?
1-ethenyl-3-propylideneurea has a molecular weight of 126.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propylideneurea is sourced from PubChem (CID 141024424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).