3-ethyl-1-methyl-1-prop-2-enylurea

C7H14N2O — CID 13202348

IUPAC3-ethyl-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NCC
InChIInChI=1S/C7H14N2O/c1-4-6-9(3)7(10)8-5-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyLBAGRLZVAMJJHH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds3

About 3-ethyl-1-methyl-1-prop-2-enylurea

3-ethyl-1-methyl-1-prop-2-enylurea (PubChem CID 13202348) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-prop-2-enylurea
PubChem CID13202348
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-ethyl-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NCC
InChIInChI=1S/C7H14N2O/c1-4-6-9(3)7(10)8-5-2/h4H,1,5-6H2,2-3H3,(H,8,10)
InChIKeyLBAGRLZVAMJJHH-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
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 3-ethyl-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-ethyl-1-methyl-1-prop-2-enylurea (CID 13202348) is 3-ethyl-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-ethyl-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-ethyl-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)NCC.
What is the InChIKey of 3-ethyl-1-methyl-1-prop-2-enylurea?
The InChIKey is LBAGRLZVAMJJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-6-9(3)7(10)8-5-2/h4H,1,5-6H2,2-3H3,(H,8,10).
What are the key properties of 3-ethyl-1-methyl-1-prop-2-enylurea?
3-ethyl-1-methyl-1-prop-2-enylurea has a molecular weight of 142.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 13202348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).