4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one

C13H15NO2 — CID 82230734

IUPAC4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
SMILESCN1C(=O)COc2cc3c(cc21)CCCC3
InChIInChI=1S/C13H15NO2/c1-14-11-6-9-4-2-3-5-10(9)7-12(11)16-8-13(14)15/h6-7H,2-5,8H2,1H3
InChIKeyRJPWMEBYMQCPNW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds

About 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one

4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one (PubChem CID 82230734) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
PubChem CID82230734
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
SMILESCN1C(=O)COc2cc3c(cc21)CCCC3
InChIInChI=1S/C13H15NO2/c1-14-11-6-9-4-2-3-5-10(9)7-12(11)16-8-13(14)15/h6-7H,2-5,8H2,1H3
InChIKeyRJPWMEBYMQCPNW-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
6-[dimethylamino(sulfanyl)methyl]-4-methyl-1,4-benzoxazin-3-one
CID 116909435
6-(3-aminooxetan-3-yl)-4-methyl-1,4-benzoxazin-3-one
CID 116872667
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
4-methyl-6-[[methyl(methylaminomethyl)amino]methyl]-1,4-benzoxazin-3-one
CID 115227035
8,9-dihydro-7H-cyclopenta[h][1,5]benzodioxepin-3-one
CID 16757333
7-[4-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994811
4-methyl-6-(4-oxocyclohexyl)-1,4-benzoxazin-3-one
CID 116963361
4-methyl-6-(3-sulfanyloxetan-3-yl)-1,4-benzoxazin-3-one
CID 116872893

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one?
The IUPAC name of 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one (CID 82230734) is 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one?
The canonical SMILES for 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one is CN1C(=O)COc2cc3c(cc21)CCCC3.
What is the InChIKey of 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one?
The InChIKey is RJPWMEBYMQCPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-11-6-9-4-2-3-5-10(9)7-12(11)16-8-13(14)15/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one?
4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one is sourced from PubChem (CID 82230734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).