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

C8H12N2O — CID 159628309

IUPAC2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one
SMILESO=C1CNC2=C(CNCC2)C1
InChIInChI=1S/C8H12N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h9-10H,1-5H2
InChIKeyGCKLXDRAQYAEDR-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.20
Rot. Bonds

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

2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one (PubChem CID 159628309) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one.

Molecular Properties

Compound Name2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one
PubChem CID159628309
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one
SMILESO=C1CNC2=C(CNCC2)C1
InChIInChI=1S/C8H12N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h9-10H,1-5H2
InChIKeyGCKLXDRAQYAEDR-UHFFFAOYSA-N
XLogP-0.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2,4,5,6,7,8-hexahydro-1,6-naphthyridin-3-one
CID 159628311

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one?
The IUPAC name of 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one (CID 159628309) is 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one.
What is the SMILES notation for 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one?
The canonical SMILES for 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one is O=C1CNC2=C(CNCC2)C1.
What is the InChIKey of 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one?
The InChIKey is GCKLXDRAQYAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-7-3-6-4-9-2-1-8(6)10-5-7/h9-10H,1-5H2.
What are the key properties of 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one?
2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one has a molecular weight of 152.20 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7,8-hexahydro-1H-1,6-naphthyridin-3-one is sourced from PubChem (CID 159628309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).