1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile

C15H16FN3 — CID 170040522

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H16FN3/c16-13-1-2-15-14(7-13)12(9-18-15)4-6-19-5-3-11(8-17)10-19/h1-2,7,9,11,18H,3-6,10H2
InChIKeyLZMPIIDUSOIVAD-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile (PubChem CID 170040522) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
PubChem CID170040522
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C15H16FN3/c16-13-1-2-15-14(7-13)12(9-18-15)4-6-19-5-3-11(8-17)10-19/h1-2,7,9,11,18H,3-6,10H2
InChIKeyLZMPIIDUSOIVAD-UHFFFAOYSA-N
XLogP2.69
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
CID 71151627
12-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 177208130
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83986149
4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71151517
3-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]-5-methylsulfanyl-1H-indole
CID 176862227
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol
CID 10407490
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile (CID 170040522) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile is N#CC1CCN(CCc2c[nH]c3ccc(F)cc23)C1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile?
The InChIKey is LZMPIIDUSOIVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c16-13-1-2-15-14(7-13)12(9-18-15)4-6-19-5-3-11(8-17)10-19/h1-2,7,9,11,18H,3-6,10H2.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile has a molecular weight of 257.31 g/mol, XLogP of 2.69, 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]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 170040522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).