prop-1-ene;urea

C4H10N2O — CID 21115319

IUPACprop-1-ene;urea
SMILESC=CC.NC(N)=O
InChIInChI=1S/C3H6.CH4N2O/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H4,2,3,4)
InChIKeyWTXWKVALMHMPRJ-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.22
Rot. Bonds

About prop-1-ene;urea

prop-1-ene;urea (PubChem CID 21115319) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is prop-1-ene;urea.

Molecular Properties

Compound Nameprop-1-ene;urea
PubChem CID21115319
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Nameprop-1-ene;urea
SMILESC=CC.NC(N)=O
InChIInChI=1S/C3H6.CH4N2O/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H4,2,3,4)
InChIKeyWTXWKVALMHMPRJ-UHFFFAOYSA-N
XLogP0.22
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;urea?
The IUPAC name of prop-1-ene;urea (CID 21115319) is prop-1-ene;urea.
What is the SMILES notation for prop-1-ene;urea?
The canonical SMILES for prop-1-ene;urea is C=CC.NC(N)=O.
What is the InChIKey of prop-1-ene;urea?
The InChIKey is WTXWKVALMHMPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.CH4N2O/c1-3-2;2-1(3)4/h3H,1H2,2H3;(H4,2,3,4).
What are the key properties of prop-1-ene;urea?
prop-1-ene;urea has a molecular weight of 102.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;urea is sourced from PubChem (CID 21115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).