1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one

C9H14N2O — CID 159628311

IUPAC1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one
SMILESCN1CC(=O)CC2=C1CCNC2
InChIInChI=1S/C9H14N2O/c1-11-6-8(12)4-7-5-10-3-2-9(7)11/h10H,2-6H2,1H3
InChIKeyVVHNVESWMGXHPF-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.14
Rot. Bonds

About 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one

1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one (PubChem CID 159628311) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one.

Molecular Properties

Compound Name1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one
PubChem CID159628311
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one
SMILESCN1CC(=O)CC2=C1CCNC2
InChIInChI=1S/C9H14N2O/c1-11-6-8(12)4-7-5-10-3-2-9(7)11/h10H,2-6H2,1H3
InChIKeyVVHNVESWMGXHPF-UHFFFAOYSA-N
XLogP0.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one?
The IUPAC name of 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one (CID 159628311) is 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one.
What is the SMILES notation for 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one?
The canonical SMILES for 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one is CN1CC(=O)CC2=C1CCNC2.
What is the InChIKey of 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one?
The InChIKey is VVHNVESWMGXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-8(12)4-7-5-10-3-2-9(7)11/h10H,2-6H2,1H3.
What are the key properties of 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one?
1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one has a molecular weight of 166.22 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one is sourced from PubChem (CID 159628311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).