1-methoxy-1-methyl-3-prop-2-enylurea

C6H12N2O2 — CID 131110482

IUPAC1-methoxy-1-methyl-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)OC
InChIInChI=1S/C6H12N2O2/c1-4-5-7-6(9)8(2)10-3/h4H,1,5H2,2-3H3,(H,7,9)
InChIKeyAFEJSEFSRBWQJN-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.38
Rot. Bonds3

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

1-methoxy-1-methyl-3-prop-2-enylurea (PubChem CID 131110482) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-prop-2-enylurea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-prop-2-enylurea
PubChem CID131110482
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-methoxy-1-methyl-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)OC
InChIInChI=1S/C6H12N2O2/c1-4-5-7-6(9)8(2)10-3/h4H,1,5H2,2-3H3,(H,7,9)
InChIKeyAFEJSEFSRBWQJN-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-prop-2-enylurea?
The IUPAC name of 1-methoxy-1-methyl-3-prop-2-enylurea (CID 131110482) is 1-methoxy-1-methyl-3-prop-2-enylurea.
What is the SMILES notation for 1-methoxy-1-methyl-3-prop-2-enylurea?
The canonical SMILES for 1-methoxy-1-methyl-3-prop-2-enylurea is C=CCNC(=O)N(C)OC.
What is the InChIKey of 1-methoxy-1-methyl-3-prop-2-enylurea?
The InChIKey is AFEJSEFSRBWQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5-7-6(9)8(2)10-3/h4H,1,5H2,2-3H3,(H,7,9).
What are the key properties of 1-methoxy-1-methyl-3-prop-2-enylurea?
1-methoxy-1-methyl-3-prop-2-enylurea has a molecular weight of 144.17 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-prop-2-enylurea is sourced from PubChem (CID 131110482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).