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

C10H17NO2 — CID 10821323

IUPAC(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)C1=N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C10H17NO2/c1-6(2)8-5-13-10(12)9(11-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyGXDOIKTWFKIMGJ-MRVPVSSYSA-N
MW183.25 g/mol
LogP1.66
Rot. Bonds2

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

(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 10821323) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
PubChem CID10821323
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)C1=N[C@@H](C(C)C)COC1=O
InChIInChI=1S/C10H17NO2/c1-6(2)8-5-13-10(12)9(11-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyGXDOIKTWFKIMGJ-MRVPVSSYSA-N
XLogP1.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-propan-2-yliminobutanoate
CID 90808573
(3S)-5-methyl-3-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 15206014
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54011702
Ethyl 3-(2-ethoxy-2-oxoethyl)imino-2-methylbutanoate
CID 54328700
Ethyl 3-(2-methylpropylimino)butanoate
CID 54534452
Ethyl 3-(2-methoxyethylimino)butanoate
CID 54551950
2,2-Dimethylpropyl 3-methyl-2-methyliminobutanoate
CID 57056842
3,3-dimethyl-5-propan-2-yl-2H-1,4-oxazin-6-one
CID 86227487
Propan-2-yl 3-methyl-2-methyliminobutanoate
CID 123174575
Ethyl 3-methyl-2-methyliminobutanoate
CID 123176701
Propan-2-yl 2-butylimino-3-methylbutanoate
CID 161181449

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one (CID 10821323) is (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one is CC(C)C1=N[C@@H](C(C)C)COC1=O.
What is the InChIKey of (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is GXDOIKTWFKIMGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)8-5-13-10(12)9(11-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one?
(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 183.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 10821323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).