1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene

C10H20N2O2 — CID 161135149

IUPAC1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene
SMILESC=CC.CCN(CC)C(=O)NC1CO1
InChIInChI=1S/C7H14N2O2.C3H6/c1-3-9(4-2)7(10)8-6-5-11-6;1-3-2/h6H,3-5H2,1-2H3,(H,8,10);3H,1H2,2H3
InChIKeyUMRSVARIICXMSV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.59
Rot. Bonds3

About 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene

1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene (PubChem CID 161135149) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene.

Molecular Properties

Compound Name1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene
PubChem CID161135149
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene
SMILESC=CC.CCN(CC)C(=O)NC1CO1
InChIInChI=1S/C7H14N2O2.C3H6/c1-3-9(4-2)7(10)8-6-5-11-6;1-3-2/h6H,3-5H2,1-2H3,(H,8,10);3H,1H2,2H3
InChIKeyUMRSVARIICXMSV-UHFFFAOYSA-N
XLogP1.59
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene?
The IUPAC name of 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene (CID 161135149) is 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene.
What is the SMILES notation for 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene?
The canonical SMILES for 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene is C=CC.CCN(CC)C(=O)NC1CO1.
What is the InChIKey of 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene?
The InChIKey is UMRSVARIICXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C3H6/c1-3-9(4-2)7(10)8-6-5-11-6;1-3-2/h6H,3-5H2,1-2H3,(H,8,10);3H,1H2,2H3.
What are the key properties of 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene?
1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene has a molecular weight of 200.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(oxiran-2-yl)urea;prop-1-ene is sourced from PubChem (CID 161135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).