2-(1-aminoethyl)-1H-indole-7-carbonitrile

C11H11N3 — CID 130001024

IUPAC2-(1-aminoethyl)-1H-indole-7-carbonitrile
SMILESCC(N)c1cc2cccc(C#N)c2[nH]1
InChIInChI=1S/C11H11N3/c1-7(13)10-5-8-3-2-4-9(6-12)11(8)14-10/h2-5,7,14H,13H2,1H3
InChIKeyPWFHDAHFKQYSGO-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.06
Rot. Bonds1

About 2-(1-aminoethyl)-1H-indole-7-carbonitrile

2-(1-aminoethyl)-1H-indole-7-carbonitrile (PubChem CID 130001024) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(1-aminoethyl)-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name2-(1-aminoethyl)-1H-indole-7-carbonitrile
PubChem CID130001024
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(1-aminoethyl)-1H-indole-7-carbonitrile
SMILESCC(N)c1cc2cccc(C#N)c2[nH]1
InChIInChI=1S/C11H11N3/c1-7(13)10-5-8-3-2-4-9(6-12)11(8)14-10/h2-5,7,14H,13H2,1H3
InChIKeyPWFHDAHFKQYSGO-UHFFFAOYSA-N
XLogP2.06
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1H-indol-2-yl)ethanamine
CID 65333202
(1R)-1-(7-fluoro-1H-indol-2-yl)ethanamine
CID 96742272
5-[(1R)-1-aminoethyl]-1H-pyrrole-2-carbonitrile
CID 96735832
1-(6-chloro-7-methyl-1H-indol-2-yl)ethanamine
CID 83868177
7-cyano-N-cyclopentyl-N-methyl-1H-indole-2-carboxamide
CID 166476068
3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile
CID 105452210
7-chloro-2-propan-2-yl-1H-indole
CID 83637222
3-[(1S)-1-aminoethyl]-2-fluorobenzonitrile;hydrochloride
CID 168966472
8-[(1R)-1-aminoethyl]naphthalene-2-carbonitrile;hydrochloride
CID 121237512
(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol
CID 96754178
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
naphthalene-2,3-dicarbonitrile
CID 601270

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-1H-indole-7-carbonitrile?
The IUPAC name of 2-(1-aminoethyl)-1H-indole-7-carbonitrile (CID 130001024) is 2-(1-aminoethyl)-1H-indole-7-carbonitrile.
What is the SMILES notation for 2-(1-aminoethyl)-1H-indole-7-carbonitrile?
The canonical SMILES for 2-(1-aminoethyl)-1H-indole-7-carbonitrile is CC(N)c1cc2cccc(C#N)c2[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-1H-indole-7-carbonitrile?
The InChIKey is PWFHDAHFKQYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7(13)10-5-8-3-2-4-9(6-12)11(8)14-10/h2-5,7,14H,13H2,1H3.
What are the key properties of 2-(1-aminoethyl)-1H-indole-7-carbonitrile?
2-(1-aminoethyl)-1H-indole-7-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-1H-indole-7-carbonitrile is sourced from PubChem (CID 130001024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).