6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione

C9H6ClNO3 — CID 11550259

IUPAC6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Cl)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13)
InChIKeyMBQXAIQVDKETLJ-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.44
Rot. Bonds

About 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione

6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione (PubChem CID 11550259) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
PubChem CID11550259
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1cc(Cl)cc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13)
InChIKeyMBQXAIQVDKETLJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione (CID 11550259) is 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione is Cc1cc(Cl)cc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is MBQXAIQVDKETLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13).
What are the key properties of 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione has a molecular weight of 211.60 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 11550259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).