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

C9H8ClNO2 — CID 71420499

IUPAC8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESCC1Nc2c(Cl)cccc2C(=O)O1
InChIInChI=1S/C9H8ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyLDSCXWKGHXXOGG-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.27
Rot. Bonds

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

8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one (PubChem CID 71420499) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one
PubChem CID71420499
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESCC1Nc2c(Cl)cccc2C(=O)O1
InChIInChI=1S/C9H8ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-5,11H,1H3
InChIKeyLDSCXWKGHXXOGG-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one?
The IUPAC name of 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one (CID 71420499) is 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one.
What is the SMILES notation for 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one?
The canonical SMILES for 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one is CC1Nc2c(Cl)cccc2C(=O)O1.
What is the InChIKey of 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one?
The InChIKey is LDSCXWKGHXXOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-5,11H,1H3.
What are the key properties of 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one?
8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one has a molecular weight of 197.62 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-1,2-dihydro-3,1-benzoxazin-4-one is sourced from PubChem (CID 71420499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).