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

C10H12N2O2 — CID 71801565

IUPAC6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCC(=O)N1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C10H12N2O2/c1-7(13)12-5-4-9-8(6-12)2-3-10(14)11-9/h2-3H,4-6H2,1H3,(H,11,14)
InChIKeyAYZDJDLDPZSILZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.28
Rot. Bonds

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

6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 71801565) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID71801565
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCC(=O)N1CCc2[nH]c(=O)ccc2C1
InChIInChI=1S/C10H12N2O2/c1-7(13)12-5-4-9-8(6-12)2-3-10(14)11-9/h2-3H,4-6H2,1H3,(H,11,14)
InChIKeyAYZDJDLDPZSILZ-UHFFFAOYSA-N
XLogP0.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 71801565) is 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is CC(=O)N1CCc2[nH]c(=O)ccc2C1.
What is the InChIKey of 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is AYZDJDLDPZSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(13)12-5-4-9-8(6-12)2-3-10(14)11-9/h2-3H,4-6H2,1H3,(H,11,14).
What are the key properties of 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 71801565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).