7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

C14H17ClN2 — CID 84633339

IUPAC7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1CC1CCNC1
InChIInChI=1S/C14H17ClN2/c1-9-12(7-10-5-6-16-8-10)11-3-2-4-13(15)14(11)17-9/h2-4,10,16-17H,5-8H2,1H3
InChIKeyAGMSABFQUKKWFY-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.28
Rot. Bonds2

About 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 84633339) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID84633339
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1CC1CCNC1
InChIInChI=1S/C14H17ClN2/c1-9-12(7-10-5-6-16-8-10)11-3-2-4-13(15)14(11)17-9/h2-4,10,16-17H,5-8H2,1H3
InChIKeyAGMSABFQUKKWFY-UHFFFAOYSA-N
XLogP3.28
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
7-chloro-1,2-dimethyl-3-(piperidin-4-ylmethyl)indole
CID 98034395
3-[(2,6-dichlorophenyl)methyl]azetidine
CID 16780191
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
3-[(7-fluoro-2-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84638147
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
7-chloro-3-iodo-2-methyl-1H-indole
CID 130049382
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-bromo-7-chloro-2-piperidin-3-yl-1H-indole
CID 84645512

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (CID 84633339) is 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is Cc1[nH]c2c(Cl)cccc2c1CC1CCNC1.
What is the InChIKey of 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is AGMSABFQUKKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-12(7-10-5-6-16-8-10)11-3-2-4-13(15)14(11)17-9/h2-4,10,16-17H,5-8H2,1H3.
What are the key properties of 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole has a molecular weight of 248.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84633339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).