2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole

C15H18N2 — CID 170388402

IUPAC2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESC=Cc1cc2ccc(C3CCCN3C)cc2[nH]1
InChIInChI=1S/C15H18N2/c1-3-13-9-11-6-7-12(10-14(11)16-13)15-5-4-8-17(15)2/h3,6-7,9-10,15-16H,1,4-5,8H2,2H3
InChIKeyGNOFHKNJSPBEGO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.58
Rot. Bonds2

About 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole

2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole (PubChem CID 170388402) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole.

Molecular Properties

Compound Name2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole
PubChem CID170388402
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESC=Cc1cc2ccc(C3CCCN3C)cc2[nH]1
InChIInChI=1S/C15H18N2/c1-3-13-9-11-6-7-12(10-14(11)16-13)15-5-4-8-17(15)2/h3,6-7,9-10,15-16H,1,4-5,8H2,2H3
InChIKeyGNOFHKNJSPBEGO-UHFFFAOYSA-N
XLogP3.58
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
CID 95732626
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279453
6-(1-methylpiperidin-2-yl)naphthalen-2-ol
CID 3029535
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine
CID 162556026
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279455
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
4-(1-methylpiperidin-2-yl)benzaldehyde
CID 20725622

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole?
The IUPAC name of 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole (CID 170388402) is 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole.
What is the SMILES notation for 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole?
The canonical SMILES for 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole is C=Cc1cc2ccc(C3CCCN3C)cc2[nH]1.
What is the InChIKey of 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole?
The InChIKey is GNOFHKNJSPBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-13-9-11-6-7-12(10-14(11)16-13)15-5-4-8-17(15)2/h3,6-7,9-10,15-16H,1,4-5,8H2,2H3.
What are the key properties of 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole?
2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole has a molecular weight of 226.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole is sourced from PubChem (CID 170388402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).