7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C9H12N2O — CID 59164397

IUPAC7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCN1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C9H12N2O/c1-11-3-2-7-4-9(12)10-5-8(7)6-11/h4-5H,2-3,6H2,1H3,(H,10,12)
InChIKeyYTKQFCDUQRLDJE-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.36
Rot. Bonds

About 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 59164397) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID59164397
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESCN1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C9H12N2O/c1-11-3-2-7-4-9(12)10-5-8(7)6-11/h4-5H,2-3,6H2,1H3,(H,10,12)
InChIKeyYTKQFCDUQRLDJE-UHFFFAOYSA-N
XLogP0.36
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 59164397) is 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is CN1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is YTKQFCDUQRLDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-3-2-7-4-9(12)10-5-8(7)6-11/h4-5H,2-3,6H2,1H3,(H,10,12).
What are the key properties of 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 164.21 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 59164397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).