3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one

C8H10N2O — CID 91185885

IUPAC3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CC=C2CCC=NC2N1
InChIInChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3,5,8H,1-2,4H2,(H,10,11)
InChIKeyOCGKXXRYTYUYNB-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.62
Rot. Bonds

About 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one

3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one (PubChem CID 91185885) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one
PubChem CID91185885
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CC=C2CCC=NC2N1
InChIInChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3,5,8H,1-2,4H2,(H,10,11)
InChIKeyOCGKXXRYTYUYNB-UHFFFAOYSA-N
XLogP0.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one (CID 91185885) is 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one is O=C1CC=C2CCC=NC2N1.
What is the InChIKey of 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The InChIKey is OCGKXXRYTYUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h3,5,8H,1-2,4H2,(H,10,11).
What are the key properties of 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,8a-tetrahydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 91185885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).