1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one

C10H17NO3 — CID 170609939

IUPAC1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one
SMILESCC(=O)N1COCCC1C(=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)10(13)9-4-5-14-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyHTDNZOSUJDNZPF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds2

About 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one

1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one (PubChem CID 170609939) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one
PubChem CID170609939
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one
SMILESCC(=O)N1COCCC1C(=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)10(13)9-4-5-14-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3
InChIKeyHTDNZOSUJDNZPF-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 59266604
1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
CID 45087395
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
2-methyl-1-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propan-1-one
CID 170366889
1-[(4S)-5-acetyl-5-azaspiro[2.4]heptan-4-yl]-2-methylpropan-1-one
CID 147714864
2-methyl-1-(1-sulfanylpyrrolidin-2-yl)propan-1-one
CID 170075221
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154
(2S)-2-bromo-1-(oxan-4-yl)propan-1-one
CID 124710704
2-bromo-1-(oxan-4-yl)propan-1-one
CID 119056821
N-(2-methyl-4-oxopentan-3-yl)-2-(oxan-4-ylsulfanyl)acetamide
CID 55141502

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one (CID 170609939) is 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one is CC(=O)N1COCCC1C(=O)C(C)C.
What is the InChIKey of 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one?
The InChIKey is HTDNZOSUJDNZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)10(13)9-4-5-14-6-11(9)8(3)12/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one?
1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1,3-oxazinan-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 170609939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).