5-hydroxy-3-methyl-1,4-benzoxazin-2-one

C9H7NO3 — CID 5359943

IUPAC5-hydroxy-3-methyl-1,4-benzoxazin-2-one
SMILESCc1nc2c(O)cccc2oc1=O
InChIInChI=1S/C9H7NO3/c1-5-9(12)13-7-4-2-3-6(11)8(7)10-5/h2-4,11H,1H3
InChIKeyNQNDQVHPEVROII-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.20
Rot. Bonds

About 5-hydroxy-3-methyl-1,4-benzoxazin-2-one

5-hydroxy-3-methyl-1,4-benzoxazin-2-one (PubChem CID 5359943) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1,4-benzoxazin-2-one
PubChem CID5359943
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name5-hydroxy-3-methyl-1,4-benzoxazin-2-one
SMILESCc1nc2c(O)cccc2oc1=O
InChIInChI=1S/C9H7NO3/c1-5-9(12)13-7-4-2-3-6(11)8(7)10-5/h2-4,11H,1H3
InChIKeyNQNDQVHPEVROII-UHFFFAOYSA-N
XLogP1.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1,4-benzoxazin-2-one?
The IUPAC name of 5-hydroxy-3-methyl-1,4-benzoxazin-2-one (CID 5359943) is 5-hydroxy-3-methyl-1,4-benzoxazin-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-1,4-benzoxazin-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-1,4-benzoxazin-2-one is Cc1nc2c(O)cccc2oc1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1,4-benzoxazin-2-one?
The InChIKey is NQNDQVHPEVROII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5-9(12)13-7-4-2-3-6(11)8(7)10-5/h2-4,11H,1H3.
What are the key properties of 5-hydroxy-3-methyl-1,4-benzoxazin-2-one?
5-hydroxy-3-methyl-1,4-benzoxazin-2-one has a molecular weight of 177.16 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 5359943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).