5-propyl-1H-1,6-naphthyridin-2-one

C11H12N2O — CID 13457698

IUPAC5-propyl-1H-1,6-naphthyridin-2-one
SMILESCCCc1nccc2[nH]c(=O)ccc12
InChIInChI=1S/C11H12N2O/c1-2-3-9-8-4-5-11(14)13-10(8)6-7-12-9/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeySKTJETBSFAHYMQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds2

About 5-propyl-1H-1,6-naphthyridin-2-one

5-propyl-1H-1,6-naphthyridin-2-one (PubChem CID 13457698) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-propyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-propyl-1H-1,6-naphthyridin-2-one
PubChem CID13457698
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-propyl-1H-1,6-naphthyridin-2-one
SMILESCCCc1nccc2[nH]c(=O)ccc12
InChIInChI=1S/C11H12N2O/c1-2-3-9-8-4-5-11(14)13-10(8)6-7-12-9/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeySKTJETBSFAHYMQ-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-propyl-1H-1,6-naphthyridin-2-one (CID 13457698) is 5-propyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-propyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-propyl-1H-1,6-naphthyridin-2-one is CCCc1nccc2[nH]c(=O)ccc12.
What is the InChIKey of 5-propyl-1H-1,6-naphthyridin-2-one?
The InChIKey is SKTJETBSFAHYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-3-9-8-4-5-11(14)13-10(8)6-7-12-9/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-propyl-1H-1,6-naphthyridin-2-one?
5-propyl-1H-1,6-naphthyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 13457698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).