7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one

C9H12N2O — CID 143189391

IUPAC7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESCC1=NC2NC(=O)CCC2C=C1
InChIInChI=1S/C9H12N2O/c1-6-2-3-7-4-5-8(12)11-9(7)10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12)
InChIKeyDZVAAMHODTWSQS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.87
Rot. Bonds

About 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one

7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one (PubChem CID 143189391) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
PubChem CID143189391
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESCC1=NC2NC(=O)CCC2C=C1
InChIInChI=1S/C9H12N2O/c1-6-2-3-7-4-5-8(12)11-9(7)10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12)
InChIKeyDZVAAMHODTWSQS-UHFFFAOYSA-N
XLogP0.87
TPSA41.46 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one (CID 143189391) is 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one is CC1=NC2NC(=O)CCC2C=C1.
What is the InChIKey of 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The InChIKey is DZVAAMHODTWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-2-3-7-4-5-8(12)11-9(7)10-6/h2-3,7,9H,4-5H2,1H3,(H,11,12).
What are the key properties of 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 143189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).