(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one

C7H11NO2 — CID 10510945

IUPAC(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)[C@H]1COC(=O)C=N1
InChIInChI=1S/C7H11NO2/c1-5(2)6-4-10-7(9)3-8-6/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyYVTZVXQOBFCVQQ-ZCFIWIBFSA-N
MW141.17 g/mol
LogP0.64
Rot. Bonds1

About (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one

(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 10510945) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID10510945
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)[C@H]1COC(=O)C=N1
InChIInChI=1S/C7H11NO2/c1-5(2)6-4-10-7(9)3-8-6/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyYVTZVXQOBFCVQQ-ZCFIWIBFSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206009
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
methyl 2-[(2S)-1-methoxy-3-methylbutan-2-yl]iminoacetate
CID 100984987
(3R)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 131856322

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (CID 10510945) is (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is CC(C)[C@H]1COC(=O)C=N1.
What is the InChIKey of (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is YVTZVXQOBFCVQQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)6-4-10-7(9)3-8-6/h3,5-6H,4H2,1-2H3/t6-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 141.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 10510945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).