3-butyl-6-methylidene-1,3-oxazinan-2-one

C9H15NO2 — CID 123635823

IUPAC3-butyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CCN(CCCC)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-3-4-6-10-7-5-8(2)12-9(10)11/h2-7H2,1H3
InChIKeyZRAPSSFVHRRRCF-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.14
Rot. Bonds3

About 3-butyl-6-methylidene-1,3-oxazinan-2-one

3-butyl-6-methylidene-1,3-oxazinan-2-one (PubChem CID 123635823) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-butyl-6-methylidene-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-butyl-6-methylidene-1,3-oxazinan-2-one
PubChem CID123635823
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-butyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=C1CCN(CCCC)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-3-4-6-10-7-5-8(2)12-9(10)11/h2-7H2,1H3
InChIKeyZRAPSSFVHRRRCF-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibutylimidazolidin-2-one
CID 20887
1-butylpiperidine-2,4-dione
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3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
3-octyl-1,3-oxazolidin-2-one
CID 3565999
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-butyl-1,3-diazepan-2-one
CID 150099536
1-decyl-1,3-diazinane-2,4-dione
CID 77019056
1-butyl-3-methyl-2-methylidene-1,3-diazinane
CID 144892580
1,3-dioctylimidazolidin-2-one
CID 19987667
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylidene-1,3-oxazolidin-2-one
CID 11608751
3-butyl-6-(4-methylphenyl)-1,3-oxazinan-2-one
CID 101260868
1-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 21025400

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methylidene-1,3-oxazinan-2-one?
The IUPAC name of 3-butyl-6-methylidene-1,3-oxazinan-2-one (CID 123635823) is 3-butyl-6-methylidene-1,3-oxazinan-2-one.
What is the SMILES notation for 3-butyl-6-methylidene-1,3-oxazinan-2-one?
The canonical SMILES for 3-butyl-6-methylidene-1,3-oxazinan-2-one is C=C1CCN(CCCC)C(=O)O1.
What is the InChIKey of 3-butyl-6-methylidene-1,3-oxazinan-2-one?
The InChIKey is ZRAPSSFVHRRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-6-10-7-5-8(2)12-9(10)11/h2-7H2,1H3.
What are the key properties of 3-butyl-6-methylidene-1,3-oxazinan-2-one?
3-butyl-6-methylidene-1,3-oxazinan-2-one has a molecular weight of 169.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methylidene-1,3-oxazinan-2-one is sourced from PubChem (CID 123635823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).