1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone

C11H19NO2 — CID 135068041

IUPAC1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone
SMILESCC(=O)N1C=C(C)OC[C@@H]1CC(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)5-11-7-14-9(3)6-12(11)10(4)13/h6,8,11H,5,7H2,1-4H3/t11-/m0/s1
InChIKeyCLVFUCYUFVFLBZ-NSHDSACASA-N
MW197.28 g/mol
LogP2.14
Rot. Bonds2

About 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone

1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone (PubChem CID 135068041) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone
PubChem CID135068041
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone
SMILESCC(=O)N1C=C(C)OC[C@@H]1CC(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)5-11-7-14-9(3)6-12(11)10(4)13/h6,8,11H,5,7H2,1-4H3/t11-/m0/s1
InChIKeyCLVFUCYUFVFLBZ-NSHDSACASA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone?
The IUPAC name of 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone (CID 135068041) is 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone.
What is the SMILES notation for 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone?
The canonical SMILES for 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone is CC(=O)N1C=C(C)OC[C@@H]1CC(C)C.
What is the InChIKey of 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone?
The InChIKey is CLVFUCYUFVFLBZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)5-11-7-14-9(3)6-12(11)10(4)13/h6,8,11H,5,7H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone?
1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone is sourced from PubChem (CID 135068041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).