prop-1-en-2-ylurea

C4H8N2O — CID 55288868

IUPACprop-1-en-2-ylurea
SMILESC=C(C)NC(N)=O
InChIInChI=1S/C4H8N2O/c1-3(2)6-4(5)7/h1H2,2H3,(H3,5,6,7)
InChIKeyOCMKJKWPTATBRR-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.19
Rot. Bonds1

About prop-1-en-2-ylurea

prop-1-en-2-ylurea (PubChem CID 55288868) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is prop-1-en-2-ylurea.

Molecular Properties

Compound Nameprop-1-en-2-ylurea
PubChem CID55288868
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Nameprop-1-en-2-ylurea
SMILESC=C(C)NC(N)=O
InChIInChI=1S/C4H8N2O/c1-3(2)6-4(5)7/h1H2,2H3,(H3,5,6,7)
InChIKeyOCMKJKWPTATBRR-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-ylurea?
The IUPAC name of prop-1-en-2-ylurea (CID 55288868) is prop-1-en-2-ylurea.
What is the SMILES notation for prop-1-en-2-ylurea?
The canonical SMILES for prop-1-en-2-ylurea is C=C(C)NC(N)=O.
What is the InChIKey of prop-1-en-2-ylurea?
The InChIKey is OCMKJKWPTATBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(2)6-4(5)7/h1H2,2H3,(H3,5,6,7).
What are the key properties of prop-1-en-2-ylurea?
prop-1-en-2-ylurea has a molecular weight of 100.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylurea is sourced from PubChem (CID 55288868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).