2-methyl-1,3,5-oxadiazinan-4-one

C4H8N2O2 — CID 58880532

IUPAC2-methyl-1,3,5-oxadiazinan-4-one
SMILESCC1NC(=O)NCO1
InChIInChI=1S/C4H8N2O2/c1-3-6-4(7)5-2-8-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyMAJWUBFGXHZSGX-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.38
Rot. Bonds

About 2-methyl-1,3,5-oxadiazinan-4-one

2-methyl-1,3,5-oxadiazinan-4-one (PubChem CID 58880532) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-methyl-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name2-methyl-1,3,5-oxadiazinan-4-one
PubChem CID58880532
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-methyl-1,3,5-oxadiazinan-4-one
SMILESCC1NC(=O)NCO1
InChIInChI=1S/C4H8N2O2/c1-3-6-4(7)5-2-8-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyMAJWUBFGXHZSGX-UHFFFAOYSA-N
XLogP-0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxytetrahydropyrimidin-2-one
CID 76677924
6-Athoxy-3,4,5,6-tetrahydro-2(1H)-pyrimidinon
CID 78207115
Ureido-1,3-oxazinane
CID 129875743
1,3-Bis(1-methoxyethyl)urea
CID 19988471
1-Methoxyethylurea
CID 20223982
1,3-Bis(1-ethoxyethyl)urea
CID 20520727
1-Ethyl-3-(methoxymethyl)urea
CID 20720397
4-Propan-2-yloxy-1,3-diazinan-2-one
CID 23466235
4-Methoxy-5-methyl-1,3-diazinan-2-one
CID 55287477
3-Ethyl-1,3,5-oxadiazinan-4-one
CID 58880533
2,6-Dimethyl-1,3,5-oxadiazinan-4-one
CID 58880534
5-Ethyl-2-methyl-1,3,5-oxadiazinan-4-one
CID 58880536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,5-oxadiazinan-4-one?
The IUPAC name of 2-methyl-1,3,5-oxadiazinan-4-one (CID 58880532) is 2-methyl-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 2-methyl-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 2-methyl-1,3,5-oxadiazinan-4-one is CC1NC(=O)NCO1.
What is the InChIKey of 2-methyl-1,3,5-oxadiazinan-4-one?
The InChIKey is MAJWUBFGXHZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3-6-4(7)5-2-8-3/h3H,2H2,1H3,(H2,5,6,7).
What are the key properties of 2-methyl-1,3,5-oxadiazinan-4-one?
2-methyl-1,3,5-oxadiazinan-4-one has a molecular weight of 116.12 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 58880532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).