6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one

C9H9NO3 — CID 84656764

IUPAC6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
SMILESCOc1ccc2c(c1)NCC(=O)O2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-5-9(11)13-8/h2-4,10H,5H2,1H3
InChIKeyXXGWHCCISWICKA-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.03
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one

6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one (PubChem CID 84656764) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
PubChem CID84656764
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
SMILESCOc1ccc2c(c1)NCC(=O)O2
InChIInChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-5-9(11)13-8/h2-4,10H,5H2,1H3
InChIKeyXXGWHCCISWICKA-UHFFFAOYSA-N
XLogP1.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
CID 19095507
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
7-methoxy-3H-1-benzoxepin-2-one
CID 11275513
8-methoxy-3,4,5,6-tetrahydro-2H-1,6-benzoxazocine
CID 117246836
7-methoxy-3,4-dihydro-1,4-benzothiazin-2-one
CID 115095138
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
7-methoxy-1,2-dihydro-1-benzazepine-3,5-dione
CID 139792157
6-methoxy-2,3-dihydro-1,2-benzothiazin-4-one
CID 57074015
7-methoxy-3,4-dihydro-1,3-benzoxazine-2-thione
CID 84773574
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one?
The IUPAC name of 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one (CID 84656764) is 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one?
The canonical SMILES for 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one is COc1ccc2c(c1)NCC(=O)O2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one?
The InChIKey is XXGWHCCISWICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-6-2-3-8-7(4-6)10-5-9(11)13-8/h2-4,10H,5H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one?
6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one has a molecular weight of 179.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one is sourced from PubChem (CID 84656764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).