8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

C9H12N2O — CID 59538715

IUPAC8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESCC1CNCc2ccc(=O)[nH]c21
InChIInChI=1S/C9H12N2O/c1-6-4-10-5-7-2-3-8(12)11-9(6)7/h2-3,6,10H,4-5H2,1H3,(H,11,12)
InChIKeyJXMXXDSAQIOTFN-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.58
Rot. Bonds

About 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 59538715) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID59538715
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESCC1CNCc2ccc(=O)[nH]c21
InChIInChI=1S/C9H12N2O/c1-6-4-10-5-7-2-3-8(12)11-9(6)7/h2-3,6,10H,4-5H2,1H3,(H,11,12)
InChIKeyJXMXXDSAQIOTFN-UHFFFAOYSA-N
XLogP0.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 59538715) is 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is CC1CNCc2ccc(=O)[nH]c21.
What is the InChIKey of 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is JXMXXDSAQIOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-10-5-7-2-3-8(12)11-9(6)7/h2-3,6,10H,4-5H2,1H3,(H,11,12).
What are the key properties of 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 59538715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).