1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one

C9H12N2O — CID 10154206

IUPAC1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
SMILESCN1CCCc2c1cc[nH]c2=O
InChIInChI=1S/C9H12N2O/c1-11-6-2-3-7-8(11)4-5-10-9(7)12/h4-5H,2-3,6H2,1H3,(H,10,12)
InChIKeyIAMHWVMYXOLZSG-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.76
Rot. Bonds

About 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one

1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one (PubChem CID 10154206) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
PubChem CID10154206
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
SMILESCN1CCCc2c1cc[nH]c2=O
InChIInChI=1S/C9H12N2O/c1-11-6-2-3-7-8(11)4-5-10-9(7)12/h4-5H,2-3,6H2,1H3,(H,10,12)
InChIKeyIAMHWVMYXOLZSG-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The IUPAC name of 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one (CID 10154206) is 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The canonical SMILES for 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one is CN1CCCc2c1cc[nH]c2=O.
What is the InChIKey of 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
The InChIKey is IAMHWVMYXOLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-6-2-3-7-8(11)4-5-10-9(7)12/h4-5H,2-3,6H2,1H3,(H,10,12).
What are the key properties of 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one?
1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one has a molecular weight of 164.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 10154206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).