(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one

C12H13NO2 — CID 11183299

IUPAC(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
SMILESCC1(C)OC(=O)C=N[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-12(2)11(13-8-10(14)15-12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t11-/m1/s1
InChIKeyAISCPSRYGCFAQP-LLVKDONJSA-N
MW203.24 g/mol
LogP2.13
Rot. Bonds1

About (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one

(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one (PubChem CID 11183299) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
PubChem CID11183299
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one
SMILESCC1(C)OC(=O)C=N[C@@H]1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-12(2)11(13-8-10(14)15-12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t11-/m1/s1
InChIKeyAISCPSRYGCFAQP-LLVKDONJSA-N
XLogP2.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one?
The IUPAC name of (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one (CID 11183299) is (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one.
What is the SMILES notation for (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one?
The canonical SMILES for (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one is CC1(C)OC(=O)C=N[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one?
The InChIKey is AISCPSRYGCFAQP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)11(13-8-10(14)15-12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one?
(3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one has a molecular weight of 203.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-phenyl-3H-1,4-oxazin-6-one is sourced from PubChem (CID 11183299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).