(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one

C8H13NO2 — CID 15206014

IUPAC(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C8H13NO2/c1-5(2)7-4-11-8(10)6(3)9-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBBECVOQDJJCDGE-SSDOTTSWSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds1

About (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one

(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 15206014) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID15206014
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C8H13NO2/c1-5(2)7-4-11-8(10)6(3)9-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyBBECVOQDJJCDGE-SSDOTTSWSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
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
3,5-dimethyl-3,6-dihydro-2H-1,4-oxazin-2-one
CID 12373800
(5S)-3,5-dimethyl-2,5-dihydro-1,4-oxazin-6-one
CID 45086570
2-(2-Methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl acetate
CID 21348684
Methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54011702
[(2R)-2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propyl] acetate
CID 59037581
[(2R)-2-[(4R)-2-methyl-4,5-dihydro-1,3-oxazol-4-yl]propyl] acetate
CID 59896152
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 86227487
Ethyl 3-methyl-2-methyliminobutanoate
CID 123176701
(3R)-3,5-dimethyl-2,3-dihydro-1,4-oxazin-6-one
CID 131982819
(3S)-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 10510945
(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
CID 10821323

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (CID 15206014) is (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is CC1=N[C@@H](C(C)C)COC1=O.
What is the InChIKey of (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is BBECVOQDJJCDGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)7-4-11-8(10)6(3)9-7/h5,7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 155.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 15206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).