5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one

C8H10N2O — CID 133058072

IUPAC5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)NCCC2
InChIInChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3-4H,1-2,5H2,(H2,9,10,11)
InChIKeyNFNRLFJATOTLES-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.73
Rot. Bonds

About 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one

5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one (PubChem CID 133058072) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one
PubChem CID133058072
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)NCCC2
InChIInChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3-4H,1-2,5H2,(H2,9,10,11)
InChIKeyNFNRLFJATOTLES-UHFFFAOYSA-N
XLogP0.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one (CID 133058072) is 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one is O=c1ccc2c([nH]1)NCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one?
The InChIKey is NFNRLFJATOTLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3-4H,1-2,5H2,(H2,9,10,11).
What are the key properties of 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one?
5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 133058072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).