8-chloro-2-methyl-3,1-benzoxazin-4-one

C9H6ClNO2 — CID 18444255

IUPAC8-chloro-2-methyl-3,1-benzoxazin-4-one
SMILESCc1nc2c(Cl)cccc2c(=O)o1
InChIInChI=1S/C9H6ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,1H3
InChIKeyMGZKBWGZFJSTSQ-UHFFFAOYSA-N
MW195.60 g/mol
LogP2.15
Rot. Bonds

About 8-chloro-2-methyl-3,1-benzoxazin-4-one

8-chloro-2-methyl-3,1-benzoxazin-4-one (PubChem CID 18444255) has the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol. Its IUPAC name is 8-chloro-2-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-3,1-benzoxazin-4-one
PubChem CID18444255
Molecular FormulaC9H6ClNO2
Molecular Weight195.60 g/mol
Exact Mass195.01
IUPAC Name8-chloro-2-methyl-3,1-benzoxazin-4-one
SMILESCc1nc2c(Cl)cccc2c(=O)o1
InChIInChI=1S/C9H6ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,1H3
InChIKeyMGZKBWGZFJSTSQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 8-chloro-2-methyl-3,1-benzoxazin-4-one (CID 18444255) is 8-chloro-2-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 8-chloro-2-methyl-3,1-benzoxazin-4-one is Cc1nc2c(Cl)cccc2c(=O)o1.
What is the InChIKey of 8-chloro-2-methyl-3,1-benzoxazin-4-one?
The InChIKey is MGZKBWGZFJSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,1H3.
What are the key properties of 8-chloro-2-methyl-3,1-benzoxazin-4-one?
8-chloro-2-methyl-3,1-benzoxazin-4-one has a molecular weight of 195.60 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 18444255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).