1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C15H17FN2O — CID 123791096

IUPAC1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c2=CCCC=3F)CC1
InChIInChI=1S/C15H17FN2O/c1-10(19)18-7-5-11(6-8-18)13-9-17-15-12(13)3-2-4-14(15)16/h3,5,9,17H,2,4,6-8H2,1H3
InChIKeyJZEAZLHFUBDBJU-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.30
Rot. Bonds1

About 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 123791096) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID123791096
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c2=CCCC=3F)CC1
InChIInChI=1S/C15H17FN2O/c1-10(19)18-7-5-11(6-8-18)13-9-17-15-12(13)3-2-4-14(15)16/h3,5,9,17H,2,4,6-8H2,1H3
InChIKeyJZEAZLHFUBDBJU-UHFFFAOYSA-N
XLogP1.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 123791096) is 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c2=CCCC=3F)CC1.
What is the InChIKey of 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is JZEAZLHFUBDBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(19)18-7-5-11(6-8-18)13-9-17-15-12(13)3-2-4-14(15)16/h3,5,9,17H,2,4,6-8H2,1H3.
What are the key properties of 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 260.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-fluoro-5,6-dihydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 123791096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).