1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one

C15H15FN2O — CID 101098379

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H15FN2O/c16-12-1-2-15-14(9-12)11(10-17-15)3-6-18-7-4-13(19)5-8-18/h1-2,4,7,9-10,17H,3,5-6,8H2
InChIKeyZWBTVIWHWZHNAN-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one (PubChem CID 101098379) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one
PubChem CID101098379
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C15H15FN2O/c16-12-1-2-15-14(9-12)11(10-17-15)3-6-18-7-4-13(19)5-8-18/h1-2,4,7,9-10,17H,3,5-6,8H2
InChIKeyZWBTVIWHWZHNAN-UHFFFAOYSA-N
XLogP2.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one (CID 101098379) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one is O=C1C=CN(CCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one?
The InChIKey is ZWBTVIWHWZHNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-1-2-15-14(9-12)11(10-17-15)3-6-18-7-4-13(19)5-8-18/h1-2,4,7,9-10,17H,3,5-6,8H2.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one has a molecular weight of 258.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 101098379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).