4aH-1,6-naphthyridin-5-one

C8H6N2O — CID 71302031

IUPAC4aH-1,6-naphthyridin-5-one
SMILESO=C1N=CC=C2N=CC=CC12
InChIInChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-6H
InChIKeyRIVNFNCFSAWPTG-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.74
Rot. Bonds

About 4aH-1,6-naphthyridin-5-one

4aH-1,6-naphthyridin-5-one (PubChem CID 71302031) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 4aH-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4aH-1,6-naphthyridin-5-one
PubChem CID71302031
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name4aH-1,6-naphthyridin-5-one
SMILESO=C1N=CC=C2N=CC=CC12
InChIInChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-6H
InChIKeyRIVNFNCFSAWPTG-UHFFFAOYSA-N
XLogP0.74
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-1,6-naphthyridin-5-one?
The IUPAC name of 4aH-1,6-naphthyridin-5-one (CID 71302031) is 4aH-1,6-naphthyridin-5-one.
What is the SMILES notation for 4aH-1,6-naphthyridin-5-one?
The canonical SMILES for 4aH-1,6-naphthyridin-5-one is O=C1N=CC=C2N=CC=CC12.
What is the InChIKey of 4aH-1,6-naphthyridin-5-one?
The InChIKey is RIVNFNCFSAWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h1-6H.
What are the key properties of 4aH-1,6-naphthyridin-5-one?
4aH-1,6-naphthyridin-5-one has a molecular weight of 146.15 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-1,6-naphthyridin-5-one is sourced from PubChem (CID 71302031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).