4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one

C10H18N2O2 — CID 19376156

IUPAC4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)N(C)CCC1OCC
InChIInChI=1S/C10H18N2O2/c1-4-7-12-9(14-5-2)6-8-11(3)10(12)13/h4,9H,1,5-8H2,2-3H3
InChIKeyKLTXLZPHDCIJJZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.29
Rot. Bonds4

About 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one

4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one (PubChem CID 19376156) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one
PubChem CID19376156
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)N(C)CCC1OCC
InChIInChI=1S/C10H18N2O2/c1-4-7-12-9(14-5-2)6-8-11(3)10(12)13/h4,9H,1,5-8H2,2-3H3
InChIKeyKLTXLZPHDCIJJZ-UHFFFAOYSA-N
XLogP1.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one?
The IUPAC name of 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one (CID 19376156) is 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one is C=CCN1C(=O)N(C)CCC1OCC.
What is the InChIKey of 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one?
The InChIKey is KLTXLZPHDCIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-7-12-9(14-5-2)6-8-11(3)10(12)13/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one?
4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one is sourced from PubChem (CID 19376156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).