3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one

C9H10N2O — CID 59652318

IUPAC3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one
SMILESCC1=CC2=CC=NCC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-4-7-2-3-10-5-8(7)9(12)11-6/h2-4,8H,5H2,1H3,(H,11,12)
InChIKeyNFKUIIMRYNLEJL-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.65
Rot. Bonds

About 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one

3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one (PubChem CID 59652318) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one
PubChem CID59652318
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one
SMILESCC1=CC2=CC=NCC2C(=O)N1
InChIInChI=1S/C9H10N2O/c1-6-4-7-2-3-10-5-8(7)9(12)11-6/h2-4,8H,5H2,1H3,(H,11,12)
InChIKeyNFKUIIMRYNLEJL-UHFFFAOYSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one (CID 59652318) is 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one is CC1=CC2=CC=NCC2C(=O)N1.
What is the InChIKey of 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one?
The InChIKey is NFKUIIMRYNLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-7-2-3-10-5-8(7)9(12)11-6/h2-4,8H,5H2,1H3,(H,11,12).
What are the key properties of 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one?
3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one has a molecular weight of 162.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8,8a-dihydro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 59652318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).