1-methyl-1-prop-1-enylurea

C5H10N2O — CID 141208009

IUPAC1-methyl-1-prop-1-enylurea
SMILESCC=CN(C)C(N)=O
InChIInChI=1S/C5H10N2O/c1-3-4-7(2)5(6)8/h3-4H,1-2H3,(H2,6,8)
InChIKeyWDKURQQUSOVTLF-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.53
Rot. Bonds1

About 1-methyl-1-prop-1-enylurea

1-methyl-1-prop-1-enylurea (PubChem CID 141208009) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-methyl-1-prop-1-enylurea.

Molecular Properties

Compound Name1-methyl-1-prop-1-enylurea
PubChem CID141208009
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-methyl-1-prop-1-enylurea
SMILESCC=CN(C)C(N)=O
InChIInChI=1S/C5H10N2O/c1-3-4-7(2)5(6)8/h3-4H,1-2H3,(H2,6,8)
InChIKeyWDKURQQUSOVTLF-UHFFFAOYSA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-1-prop-1-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-1-enylurea?
The IUPAC name of 1-methyl-1-prop-1-enylurea (CID 141208009) is 1-methyl-1-prop-1-enylurea.
What is the SMILES notation for 1-methyl-1-prop-1-enylurea?
The canonical SMILES for 1-methyl-1-prop-1-enylurea is CC=CN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-prop-1-enylurea?
The InChIKey is WDKURQQUSOVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-4-7(2)5(6)8/h3-4H,1-2H3,(H2,6,8).
What are the key properties of 1-methyl-1-prop-1-enylurea?
1-methyl-1-prop-1-enylurea has a molecular weight of 114.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-1-enylurea is sourced from PubChem (CID 141208009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).