1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

C11H14N2O — CID 64591824

IUPAC1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C11H14N2O/c1-2-11(14)13-7-5-10-9(8-13)4-3-6-12-10/h3-4,6H,2,5,7-8H2,1H3
InChIKeyUAEJSDNUDYTECI-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.38
Rot. Bonds1

About 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (PubChem CID 64591824) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
PubChem CID64591824
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCCC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C11H14N2O/c1-2-11(14)13-7-5-10-9(8-13)4-3-6-12-10/h3-4,6H,2,5,7-8H2,1H3
InChIKeyUAEJSDNUDYTECI-UHFFFAOYSA-N
XLogP1.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (CID 64591824) is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.
What is the SMILES notation for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The canonical SMILES for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is CCC(=O)N1CCc2ncccc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The InChIKey is UAEJSDNUDYTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(14)13-7-5-10-9(8-13)4-3-6-12-10/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is sourced from PubChem (CID 64591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).