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

C10H18N2O2 — CID 70472879

IUPAC4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)NC(OCC)CC1C
InChIInChI=1S/C10H18N2O2/c1-4-6-12-8(3)7-9(14-5-2)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyZZUBQYKPRXQVLT-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.34
Rot. Bonds4

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

4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one (PubChem CID 70472879) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one
PubChem CID70472879
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one
SMILESC=CCN1C(=O)NC(OCC)CC1C
InChIInChI=1S/C10H18N2O2/c1-4-6-12-8(3)7-9(14-5-2)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyZZUBQYKPRXQVLT-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

1-Allyl-6-ethoxy-4-methylhexahydropyrimidin-2-one
CID 19376132
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-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
1-methyl-3-[(1R)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856557
1-[(2R)-4-hydroxybutan-2-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 109622463
1-(Oxan-4-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 145888839

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The IUPAC name of 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one (CID 70472879) is 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The canonical SMILES for 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one is C=CCN1C(=O)NC(OCC)CC1C.
What is the InChIKey of 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
The InChIKey is ZZUBQYKPRXQVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-12-8(3)7-9(14-5-2)11-10(12)13/h4,8-9H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one?
4-ethoxy-6-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 4-ethoxy-6-methyl-1-prop-2-enyl-1,3-diazinan-2-one is sourced from PubChem (CID 70472879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).