ethane;5-methyl-1,3-oxazinan-4-one

C7H15NO2 — CID 142177654

IUPACethane;5-methyl-1,3-oxazinan-4-one
SMILESCC.CC1COCNC1=O
InChIInChI=1S/C5H9NO2.C2H6/c1-4-2-8-3-6-5(4)7;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3
InChIKeyRSPDIORGDQQMHW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.75
Rot. Bonds

About ethane;5-methyl-1,3-oxazinan-4-one

ethane;5-methyl-1,3-oxazinan-4-one (PubChem CID 142177654) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;5-methyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Nameethane;5-methyl-1,3-oxazinan-4-one
PubChem CID142177654
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;5-methyl-1,3-oxazinan-4-one
SMILESCC.CC1COCNC1=O
InChIInChI=1S/C5H9NO2.C2H6/c1-4-2-8-3-6-5(4)7;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3
InChIKeyRSPDIORGDQQMHW-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-1,3-oxazepan-4-one
CID 89392804
2-(1-aminoethyl)-6-methyl-1,4-oxazepan-5-one
CID 163393877
ethane;4-methyl-1,2-thiazolidin-3-one
CID 54492728
3-methylazepan-2-one
CID 581216
ethane;3-methylazepan-2-one;propane
CID 142177771
3-methyl-azacycloundecan-2-one
CID 118421477
3-methylazonan-2-one
CID 59032742
3-methylpyrrolidin-2-one;1,1,3,3-tetramethylurea
CID 159990566
7,8-dichloro-3-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82232155
3-methylazepan-2-one;molecular hydrogen
CID 142072840
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-oxazinan-4-one?
The IUPAC name of ethane;5-methyl-1,3-oxazinan-4-one (CID 142177654) is ethane;5-methyl-1,3-oxazinan-4-one.
What is the SMILES notation for ethane;5-methyl-1,3-oxazinan-4-one?
The canonical SMILES for ethane;5-methyl-1,3-oxazinan-4-one is CC.CC1COCNC1=O.
What is the InChIKey of ethane;5-methyl-1,3-oxazinan-4-one?
The InChIKey is RSPDIORGDQQMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-4-2-8-3-6-5(4)7;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;5-methyl-1,3-oxazinan-4-one?
ethane;5-methyl-1,3-oxazinan-4-one has a molecular weight of 145.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-oxazinan-4-one is sourced from PubChem (CID 142177654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).