2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one

C8H10N2O — CID 15232997

IUPAC2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2c1CCCN2
InChIInChI=1S/C8H10N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h3,5,9H,1-2,4H2,(H,10,11)
InChIKeyNXLIAWQPRVOLPK-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.73
Rot. Bonds

About 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one

2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one (PubChem CID 15232997) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one
PubChem CID15232997
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2c1CCCN2
InChIInChI=1S/C8H10N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h3,5,9H,1-2,4H2,(H,10,11)
InChIKeyNXLIAWQPRVOLPK-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 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one?
The IUPAC name of 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one (CID 15232997) is 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one is O=c1[nH]ccc2c1CCCN2.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one?
The InChIKey is NXLIAWQPRVOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-6-2-1-4-9-7(6)3-5-10-8/h3,5,9H,1-2,4H2,(H,10,11).
What are the key properties of 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one?
2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-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 2,3,4,6-tetrahydro-1H-1,6-naphthyridin-5-one is sourced from PubChem (CID 15232997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).