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

C9H9NO2 — CID 14265904

IUPAC4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC1OC(=O)Nc2ccccc21
InChIInChI=1S/C9H9NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h2-6H,1H3,(H,10,11)
InChIKeyGSFUCNKFTKSDSD-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.31
Rot. Bonds

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

4-methyl-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 14265904) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID14265904
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-methyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC1OC(=O)Nc2ccccc21
InChIInChI=1S/C9H9NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h2-6H,1H3,(H,10,11)
InChIKeyGSFUCNKFTKSDSD-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one (CID 14265904) is 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one is CC1OC(=O)Nc2ccccc21.
What is the InChIKey of 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is GSFUCNKFTKSDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-7-4-2-3-5-8(7)10-9(11)12-6/h2-6H,1H3,(H,10,11).
What are the key properties of 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one?
4-methyl-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 163.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 14265904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).