7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen

C9H11NO2 — CID 144928838

IUPAC7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen
SMILESCc1ccc2c(c1)NC(=O)OC2.[H][H]
InChIInChI=1S/C9H9NO2.H2/c1-6-2-3-7-5-12-9(11)10-8(7)4-6;/h2-4H,5H2,1H3,(H,10,11);1H
InChIKeyFFPGXZHNOMBDAH-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.30
Rot. Bonds

About 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen

7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen (PubChem CID 144928838) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen
PubChem CID144928838
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen
SMILESCc1ccc2c(c1)NC(=O)OC2.[H][H]
InChIInChI=1S/C9H9NO2.H2/c1-6-2-3-7-5-12-9(11)10-8(7)4-6;/h2-4H,5H2,1H3,(H,10,11);1H
InChIKeyFFPGXZHNOMBDAH-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-1,4-dihydro-3,1-benzoxazin-2-one
CID 46856485
7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
CID 135209315
2-oxo-1,4-dihydro-3,1-benzoxazine-7-sulfonyl chloride
CID 84803405
7-methyl-4,5-dihydro-1H-3,1-benzoxazepin-2-one
CID 143125369
1-(2-methyl-6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039243
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
7-methyl-4,4-di(propan-2-yl)-1H-3,1-benzoxazin-2-one
CID 161404840
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
3-methyl-9,10-dihydroacridine
CID 15076518
6-(2,4-dimethylimidazol-1-yl)-1,4-dihydro-3,1-benzoxazin-2-one
CID 19806587
6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
CID 155691308
8-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57076404

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen?
The IUPAC name of 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen (CID 144928838) is 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen.
What is the SMILES notation for 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen?
The canonical SMILES for 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen is Cc1ccc2c(c1)NC(=O)OC2.[H][H].
What is the InChIKey of 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen?
The InChIKey is FFPGXZHNOMBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.H2/c1-6-2-3-7-5-12-9(11)10-8(7)4-6;/h2-4H,5H2,1H3,(H,10,11);1H.
What are the key properties of 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen?
7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen has a molecular weight of 165.19 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dihydro-3,1-benzoxazin-2-one;molecular hydrogen is sourced from PubChem (CID 144928838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).