6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione

C11H8ClNO3 — CID 587443

IUPAC6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione
SMILESCn1c(=O)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C11H8ClNO3/c1-13-10(14)6-9(16-11(13)15)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyMJBUUNYNNLDKKP-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.66
Rot. Bonds1

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

6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione (PubChem CID 587443) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione
PubChem CID587443
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione
SMILESCn1c(=O)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C11H8ClNO3/c1-13-10(14)6-9(16-11(13)15)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyMJBUUNYNNLDKKP-UHFFFAOYSA-N
XLogP1.66
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
6-(4-chlorophenyl)-3,4-dihydro-2H-1,3-oxazine-2,4-dione
CID 2806056
(1,2-Dimethyl-6-oxopyridin-4-yl) 4-chlorobenzoate
CID 824940
(4-Chlorophenyl)methyl dimethylcarbamate
CID 12963457
[1-(4-chlorophenyl)-2,2-difluoroethenyl] N,N-diethylcarbamate
CID 85776867
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
ethyl N-[(1E)-1-[(4-chloro-2-fluorophenyl)methoxy]buta-1,3-dienyl]-N-methylcarbamate
CID 166715686
(4-Chlorophenyl)methyl diethylcarbamate
CID 13392255
6-(4-Chlorophenyl)-4-methylpyran-2-one
CID 21520192
tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
CID 130182784
(7-chloro-3,4-dihydronaphthalen-1-yl) N,N-diethylcarbamate
CID 175597771
6-(2-Chlorophenyl)-1,3-oxazine-2,4-dione
CID 3346713

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione (CID 587443) is 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione is Cn1c(=O)cc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione?
The InChIKey is MJBUUNYNNLDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-13-10(14)6-9(16-11(13)15)7-2-4-8(12)5-3-7/h2-6H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione?
6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione has a molecular weight of 237.64 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 587443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).