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

C9H12N2O — CID 21071182

IUPAC2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESCn1ccc2c(c1=O)CCNC2
InChIInChI=1S/C9H12N2O/c1-11-5-3-7-6-10-4-2-8(7)9(11)12/h3,5,10H,2,4,6H2,1H3
InChIKeyWNHXATJDLRWDAM-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.03
Rot. Bonds

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

2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one (PubChem CID 21071182) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one
PubChem CID21071182
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESCn1ccc2c(c1=O)CCNC2
InChIInChI=1S/C9H12N2O/c1-11-5-3-7-6-10-4-2-8(7)9(11)12/h3,5,10H,2,4,6H2,1H3
InChIKeyWNHXATJDLRWDAM-UHFFFAOYSA-N
XLogP0.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one (CID 21071182) is 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one is Cn1ccc2c(c1=O)CCNC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one?
The InChIKey is WNHXATJDLRWDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-5-3-7-6-10-4-2-8(7)9(11)12/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one?
2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one has a molecular weight of 164.21 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 21071182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).