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

C8H10N2O — CID 21071189

IUPAC5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCNC2
InChIInChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,9H,3-5H2,(H,10,11)
InChIKeyJCJJNHQIUYSATB-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.02
Rot. Bonds

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

5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 21071189) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID21071189
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCNC2
InChIInChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,9H,3-5H2,(H,10,11)
InChIKeyJCJJNHQIUYSATB-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
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-1,6-naphthyridin-2-one?
The IUPAC name of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 21071189) is 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is O=c1ccc2c([nH]1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is JCJJNHQIUYSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,9H,3-5H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.02, 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-1,6-naphthyridin-2-one is sourced from PubChem (CID 21071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).