2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one

C8H10N2O — CID 70247360

IUPAC2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one
SMILESO=C1CCNC2C=NC=CC12
InChIInChI=1S/C8H10N2O/c11-8-2-4-10-7-5-9-3-1-6(7)8/h1,3,5-7,10H,2,4H2
InChIKeyFEBJNJHWPYHKOZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.13
Rot. Bonds

About 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one

2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one (PubChem CID 70247360) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one
PubChem CID70247360
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one
SMILESO=C1CCNC2C=NC=CC12
InChIInChI=1S/C8H10N2O/c11-8-2-4-10-7-5-9-3-1-6(7)8/h1,3,5-7,10H,2,4H2
InChIKeyFEBJNJHWPYHKOZ-UHFFFAOYSA-N
XLogP0.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one?
The IUPAC name of 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one (CID 70247360) is 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one?
The canonical SMILES for 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one is O=C1CCNC2C=NC=CC12.
What is the InChIKey of 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one?
The InChIKey is FEBJNJHWPYHKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-2-4-10-7-5-9-3-1-6(7)8/h1,3,5-7,10H,2,4H2.
What are the key properties of 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one?
2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one has a molecular weight of 150.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,8a-tetrahydro-1H-1,7-naphthyridin-4-one is sourced from PubChem (CID 70247360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).