3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile

C6H8N2O2 — CID 117010522

IUPAC3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESCN1CC(C#N)COC1=O
InChIInChI=1S/C6H8N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,3-4H2,1H3
InChIKeyIWUVBUHUCBNEBX-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.21
Rot. Bonds

About 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile

3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile (PubChem CID 117010522) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
PubChem CID117010522
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
SMILESCN1CC(C#N)COC1=O
InChIInChI=1S/C6H8N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,3-4H2,1H3
InChIKeyIWUVBUHUCBNEBX-UHFFFAOYSA-N
XLogP0.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010575
3-(4-chloro-2-methylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010581
3-methyl-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 83845755
2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
CID 117010595
(3R)-5-oxooxolane-3-carbonitrile
CID 89319230
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanenitrile
CID 91620718
1-(3-methylbutyl)-6-oxopiperidine-3-carbonitrile
CID 116837809
(5R)-5-hydroxy-3-methyl-1,3-oxazolidin-2-one
CID 70341446
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
CID 154029551
5-hydroxy-3-methyl-1,3-oxazolidin-2-one
CID 67762404
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile?
The IUPAC name of 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile (CID 117010522) is 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile?
The canonical SMILES for 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile is CN1CC(C#N)COC1=O.
What is the InChIKey of 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile?
The InChIKey is IWUVBUHUCBNEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-3-5(2-7)4-10-6(8)9/h5H,3-4H2,1H3.
What are the key properties of 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile?
3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile has a molecular weight of 140.14 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile is sourced from PubChem (CID 117010522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).