ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate

C15H18N4O2 — CID 915584

IUPACethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCC1
InChIInChI=1S/C15H18N4O2/c1-2-21-15(20)14-13(17-18-19-9-5-6-10-19)11-7-3-4-8-12(11)16-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b18-17+
InChIKeyBJFUTINJOXXGFL-ISLYRVAYSA-N
MW286.34 g/mol
LogP3.44
Rot. Bonds4

About ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate

ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate (PubChem CID 915584) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate
PubChem CID915584
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCC1
InChIInChI=1S/C15H18N4O2/c1-2-21-15(20)14-13(17-18-19-9-5-6-10-19)11-7-3-4-8-12(11)16-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b18-17+
InChIKeyBJFUTINJOXXGFL-ISLYRVAYSA-N
XLogP3.44
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(thiomorpholin-4-yldiazenyl)-1H-indole-2-carboxylate
CID 914888
ethyl 3-(1-ethoxyethylideneamino)-1H-indole-2-carboxylate
CID 11065638
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 3-[[(2S)-2-methylpiperidin-1-yl]methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576585
ethyl 3-[(4-formylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576629
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 5-fluoro-3-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)diazenyl]-1H-indole-2-carboxylate
CID 4203156
ethyl 3-[5-ethoxycarbonyl-2-(pyrrolidin-1-yldiazenyl)phenyl]-4-(pyrrolidin-1-yldiazenyl)benzoate
CID 23583787
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-1H-indole-2-carboxylate
CID 13166911

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate (CID 915584) is ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCC1.
What is the InChIKey of ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate?
The InChIKey is BJFUTINJOXXGFL-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-15(20)14-13(17-18-19-9-5-6-10-19)11-7-3-4-8-12(11)16-14/h3-4,7-8,16H,2,5-6,9-10H2,1H3/b18-17+.
What are the key properties of ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate?
ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate has a molecular weight of 286.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyrrolidin-1-yldiazenyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).