7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen

C8H10N2O2 — CID 145497410

IUPAC7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
SMILESCc1cc2c(cn1)OCC(=O)N2.[H][H]
InChIInChI=1S/C8H8N2O2.H2/c1-5-2-6-7(3-9-5)12-4-8(11)10-6;/h2-3H,4H2,1H3,(H,10,11);1H
InChIKeyCAXXYNDOPWWTKP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.97
Rot. Bonds

About 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen

7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen (PubChem CID 145497410) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
PubChem CID145497410
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
SMILESCc1cc2c(cn1)OCC(=O)N2.[H][H]
InChIInChI=1S/C8H8N2O2.H2/c1-5-2-6-7(3-9-5)12-4-8(11)10-6;/h2-3H,4H2,1H3,(H,10,11);1H
InChIKeyCAXXYNDOPWWTKP-UHFFFAOYSA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 55265376
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one
CID 145481089
7-[(E)-2-phenylethenyl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 86730947
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-iodo-4H-pyrido[4,3-b][1,4]oxazin-3-one
CID 147566654
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
4,6-dihydropyrazino[2,3-g][1,4]benzoxazine-3,7-dione
CID 90860605
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
3,6-dihydropyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 140823667
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen?
The IUPAC name of 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen (CID 145497410) is 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen.
What is the SMILES notation for 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen?
The canonical SMILES for 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen is Cc1cc2c(cn1)OCC(=O)N2.[H][H].
What is the InChIKey of 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen?
The InChIKey is CAXXYNDOPWWTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.H2/c1-5-2-6-7(3-9-5)12-4-8(11)10-6;/h2-3H,4H2,1H3,(H,10,11);1H.
What are the key properties of 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen?
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen has a molecular weight of 166.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen is sourced from PubChem (CID 145497410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).