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

C10H18N2O2 — CID 19376132

IUPAC6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)NC(C)CC1OCC
InChIInChI=1S/C10H18N2O2/c1-4-6-12-9(14-5-2)7-8(3)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyWTVJPINKVHGTQF-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.34
Rot. Bonds4

About 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one

6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one (PubChem CID 19376132) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one
PubChem CID19376132
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)NC(C)CC1OCC
InChIInChI=1S/C10H18N2O2/c1-4-6-12-9(14-5-2)7-8(3)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyWTVJPINKVHGTQF-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxy-1-methyl-3-prop-2-enyl-1,3-diazinan-2-one
CID 19376156
4-Ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one
CID 70472879
3-Methyl-1-(oxan-4-yl)-1-prop-2-enylurea
CID 129281838
Methanidyl-[oxan-4-yl(prop-2-enyl)carbamoyl]azanium
CID 145753675
Ethyl 4-(prop-2-enylcarbamoylamino)piperidine-1-carboxylate
CID 43036866
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
3-(3-Ethoxypropyl)-1,1-bis(prop-2-enyl)urea
CID 78833160
1-allyl-3-(tetrahydro-2H-pyran-4-yl)urea
CID 84282037
1-Methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
CID 91649762
1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856554
1-methyl-3-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856555
1-methyl-3-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856556

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The IUPAC name of 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one (CID 19376132) is 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one.
What is the SMILES notation for 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The canonical SMILES for 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one is C=CCN1C(=O)NC(C)CC1OCC.
What is the InChIKey of 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The InChIKey is WTVJPINKVHGTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-12-9(14-5-2)7-8(3)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methyl-1-prop-2-enyl-1,3-diazinan-2-one is sourced from PubChem (CID 19376132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).