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

C9H6ClNO3 — CID 57283159

IUPAC7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1c(Cl)ccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO3/c1-4-6(10)3-2-5-7(4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13)
InChIKeyKNXCXYIOEWBYOI-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.44
Rot. Bonds

About 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione

7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione (PubChem CID 57283159) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
PubChem CID57283159
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
SMILESCc1c(Cl)ccc2c(=O)oc(=O)[nH]c12
InChIInChI=1S/C9H6ClNO3/c1-4-6(10)3-2-5-7(4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13)
InChIKeyKNXCXYIOEWBYOI-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 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione (CID 57283159) is 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione is Cc1c(Cl)ccc2c(=O)oc(=O)[nH]c12.
What is the InChIKey of 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
The InChIKey is KNXCXYIOEWBYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-4-6(10)3-2-5-7(4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13).
What are the key properties of 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione?
7-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 7-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 57283159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).