1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea

C8H16N2O2 — CID 103338599

IUPAC1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC
InChIInChI=1S/C8H16N2O2/c1-4-5-10(6-7-12-3)8(11)9-2/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyUXGYEWBDSNWMBI-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.46
Rot. Bonds5

About 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea

1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea (PubChem CID 103338599) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea
PubChem CID103338599
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea
SMILESC=CCN(CCOC)C(=O)NC
InChIInChI=1S/C8H16N2O2/c1-4-5-10(6-7-12-3)8(11)9-2/h4H,1,5-7H2,2-3H3,(H,9,11)
InChIKeyUXGYEWBDSNWMBI-UHFFFAOYSA-N
XLogP0.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea (CID 103338599) is 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea is C=CCN(CCOC)C(=O)NC.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea?
The InChIKey is UXGYEWBDSNWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-5-10(6-7-12-3)8(11)9-2/h4H,1,5-7H2,2-3H3,(H,9,11).
What are the key properties of 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea?
1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea has a molecular weight of 172.23 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-1-prop-2-enylurea is sourced from PubChem (CID 103338599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).