6-(4-methylphenyl)-1,3-oxazine-2,4-dione

C11H9NO3 — CID 11148380

IUPAC6-(4-methylphenyl)-1,3-oxazine-2,4-dione
SMILESCc1ccc(-c2cc(=O)[nH]c(=O)o2)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)9-6-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)
InChIKeyLLRJKVBHMARBIC-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.30
Rot. Bonds1

About 6-(4-methylphenyl)-1,3-oxazine-2,4-dione

6-(4-methylphenyl)-1,3-oxazine-2,4-dione (PubChem CID 11148380) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1,3-oxazine-2,4-dione
PubChem CID11148380
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-(4-methylphenyl)-1,3-oxazine-2,4-dione
SMILESCc1ccc(-c2cc(=O)[nH]c(=O)o2)cc1
InChIInChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)9-6-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)
InChIKeyLLRJKVBHMARBIC-UHFFFAOYSA-N
XLogP1.30
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3,4-dihydro-2H-1,3-oxazine-2,4-dione
CID 2806056
Benzyl acetylcarbamate
CID 12066024
4-hydroxy-6-[(4-propylphenyl)methoxy]-1H-pyridin-2-one
CID 177656258
6-(4-Tert-butylphenyl)-1,3-oxazine-2,4-dione
CID 2806150
benzyl N-methacryloylcarbamate
CID 11321946
2(3H)-Oxazolone, 4-methyl-5-phenyl-
CID 12306999
6-m-Fluorophenyl-1,3-oxazine-2,4-dione
CID 13370936
6-Phenyl-1,3-oxazine-2,4-dione
CID 2804620
benzyl N-[(E)-4-phenylselanylbut-2-enoyl]carbamate
CID 139266039
2H-1,3-Oxazine-2,4(3H)-dione, 6-(4-fluorophenyl)-
CID 12300353
6-[3-(trifluoromethyl)phenyl]-2H-1,3-oxazine-2,4(3H)-dione
CID 49762859
methyl (E)-4-[(4-fluorophenyl)methoxycarbonylamino]-4-oxobut-2-enoate
CID 101618954

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1,3-oxazine-2,4-dione?
The IUPAC name of 6-(4-methylphenyl)-1,3-oxazine-2,4-dione (CID 11148380) is 6-(4-methylphenyl)-1,3-oxazine-2,4-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1,3-oxazine-2,4-dione?
The canonical SMILES for 6-(4-methylphenyl)-1,3-oxazine-2,4-dione is Cc1ccc(-c2cc(=O)[nH]c(=O)o2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1,3-oxazine-2,4-dione?
The InChIKey is LLRJKVBHMARBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-2-4-8(5-3-7)9-6-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14).
What are the key properties of 6-(4-methylphenyl)-1,3-oxazine-2,4-dione?
6-(4-methylphenyl)-1,3-oxazine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1,3-oxazine-2,4-dione is sourced from PubChem (CID 11148380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).