1-ethenyl-3-propylurea

C6H12N2O — CID 55286825

IUPAC1-ethenyl-3-propylurea
SMILESC=CNC(=O)NCCC
InChIInChI=1S/C6H12N2O/c1-3-5-8-6(9)7-4-2/h4H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyBTVSVAMOJPBIJR-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.84
Rot. Bonds3

About 1-ethenyl-3-propylurea

1-ethenyl-3-propylurea (PubChem CID 55286825) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-ethenyl-3-propylurea.

Molecular Properties

Compound Name1-ethenyl-3-propylurea
PubChem CID55286825
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-ethenyl-3-propylurea
SMILESC=CNC(=O)NCCC
InChIInChI=1S/C6H12N2O/c1-3-5-8-6(9)7-4-2/h4H,2-3,5H2,1H3,(H2,7,8,9)
InChIKeyBTVSVAMOJPBIJR-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propylurea?
The IUPAC name of 1-ethenyl-3-propylurea (CID 55286825) is 1-ethenyl-3-propylurea.
What is the SMILES notation for 1-ethenyl-3-propylurea?
The canonical SMILES for 1-ethenyl-3-propylurea is C=CNC(=O)NCCC.
What is the InChIKey of 1-ethenyl-3-propylurea?
The InChIKey is BTVSVAMOJPBIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5-8-6(9)7-4-2/h4H,2-3,5H2,1H3,(H2,7,8,9).
What are the key properties of 1-ethenyl-3-propylurea?
1-ethenyl-3-propylurea has a molecular weight of 128.17 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propylurea is sourced from PubChem (CID 55286825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).