3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile

C14H15N3 — CID 170277645

IUPAC3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCC3)c2c1
InChIInChI=1S/C14H15N3/c15-9-11-2-3-14-13(8-11)12(10-16-14)4-7-17-5-1-6-17/h2-3,8,10,16H,1,4-7H2
InChIKeyWJZKUTIMPBCSCJ-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.29
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile

3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile (PubChem CID 170277645) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
PubChem CID170277645
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCN3CCC3)c2c1
InChIInChI=1S/C14H15N3/c15-9-11-2-3-14-13(8-11)12(10-16-14)4-7-17-5-1-6-17/h2-3,8,10,16H,1,4-7H2
InChIKeyWJZKUTIMPBCSCJ-UHFFFAOYSA-N
XLogP2.29
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
3-(2-pyrrolidin-1-ylethyl)-5-[2-(4-pyrrol-1-ylphenyl)ethynyl]-1H-indole
CID 67598982
3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 19438845
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 10407968
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
3-[2-[4-[4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 118191017
3-[4-[4-(2,4-dihydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 57229461
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11751791
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile (CID 170277645) is 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCN3CCC3)c2c1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile?
The InChIKey is WJZKUTIMPBCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-9-11-2-3-14-13(8-11)12(10-16-14)4-7-17-5-1-6-17/h2-3,8,10,16H,1,4-7H2.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile?
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 170277645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).