1-ethenyl-3-methylurea

C4H8N2O — CID 18417868

IUPAC1-ethenyl-3-methylurea
SMILESC=CNC(=O)NC
InChIInChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h3H,1H2,2H3,(H2,5,6,7)
InChIKeyMKIAHTYUZVGHKU-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.06
Rot. Bonds1

About 1-ethenyl-3-methylurea

1-ethenyl-3-methylurea (PubChem CID 18417868) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-ethenyl-3-methylurea.

Molecular Properties

Compound Name1-ethenyl-3-methylurea
PubChem CID18417868
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-ethenyl-3-methylurea
SMILESC=CNC(=O)NC
InChIInChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h3H,1H2,2H3,(H2,5,6,7)
InChIKeyMKIAHTYUZVGHKU-UHFFFAOYSA-N
XLogP0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylurea?
The IUPAC name of 1-ethenyl-3-methylurea (CID 18417868) is 1-ethenyl-3-methylurea.
What is the SMILES notation for 1-ethenyl-3-methylurea?
The canonical SMILES for 1-ethenyl-3-methylurea is C=CNC(=O)NC.
What is the InChIKey of 1-ethenyl-3-methylurea?
The InChIKey is MKIAHTYUZVGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h3H,1H2,2H3,(H2,5,6,7).
What are the key properties of 1-ethenyl-3-methylurea?
1-ethenyl-3-methylurea has a molecular weight of 100.12 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylurea is sourced from PubChem (CID 18417868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).