6-methyl-3-pyrrolidin-3-yl-1H-indole

C13H16N2 — CID 54857127

IUPAC6-methyl-3-pyrrolidin-3-yl-1H-indole
SMILESCc1ccc2c(C3CCNC3)c[nH]c2c1
InChIInChI=1S/C13H16N2/c1-9-2-3-11-12(8-15-13(11)6-9)10-4-5-14-7-10/h2-3,6,8,10,14-15H,4-5,7H2,1H3
InChIKeyQHAZGNOVFJUCIK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.55
Rot. Bonds1

About 6-methyl-3-pyrrolidin-3-yl-1H-indole

6-methyl-3-pyrrolidin-3-yl-1H-indole (PubChem CID 54857127) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-methyl-3-pyrrolidin-3-yl-1H-indole.

Molecular Properties

Compound Name6-methyl-3-pyrrolidin-3-yl-1H-indole
PubChem CID54857127
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6-methyl-3-pyrrolidin-3-yl-1H-indole
SMILESCc1ccc2c(C3CCNC3)c[nH]c2c1
InChIInChI=1S/C13H16N2/c1-9-2-3-11-12(8-15-13(11)6-9)10-4-5-14-7-10/h2-3,6,8,10,14-15H,4-5,7H2,1H3
InChIKeyQHAZGNOVFJUCIK-UHFFFAOYSA-N
XLogP2.55
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
4-(6-methyl-1H-indol-3-yl)piperidin-1-amine
CID 90932257
6-fluoro-3-piperidin-3-yl-1H-indole
CID 54857103
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
3-cyclopropyl-7-methyl-1H-quinolin-4-one
CID 156532948
(3S)-3-(2-iodo-5-methylphenyl)pyrrolidine
CID 130664930
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
5-methyl-2-pyrrolidin-3-ylbenzonitrile
CID 130002472
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
methane;3-piperidin-4-yl-1H-indole
CID 70444570
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyrrolidin-3-yl-1H-indole?
The IUPAC name of 6-methyl-3-pyrrolidin-3-yl-1H-indole (CID 54857127) is 6-methyl-3-pyrrolidin-3-yl-1H-indole.
What is the SMILES notation for 6-methyl-3-pyrrolidin-3-yl-1H-indole?
The canonical SMILES for 6-methyl-3-pyrrolidin-3-yl-1H-indole is Cc1ccc2c(C3CCNC3)c[nH]c2c1.
What is the InChIKey of 6-methyl-3-pyrrolidin-3-yl-1H-indole?
The InChIKey is QHAZGNOVFJUCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-2-3-11-12(8-15-13(11)6-9)10-4-5-14-7-10/h2-3,6,8,10,14-15H,4-5,7H2,1H3.
What are the key properties of 6-methyl-3-pyrrolidin-3-yl-1H-indole?
6-methyl-3-pyrrolidin-3-yl-1H-indole has a molecular weight of 200.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrrolidin-3-yl-1H-indole is sourced from PubChem (CID 54857127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).