5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole

C14H17ClN2 — CID 84633326

IUPAC5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
SMILESCc1c(C2CCNC2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2/c1-9-12-7-11(15)3-4-13(12)17(2)14(9)10-5-6-16-8-10/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyYJKDSWBVJLWSNX-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.22
Rot. Bonds1

About 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole

5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole (PubChem CID 84633326) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
PubChem CID84633326
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
SMILESCc1c(C2CCNC2)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C14H17ClN2/c1-9-12-7-11(15)3-4-13(12)17(2)14(9)10-5-6-16-8-10/h3-4,7,10,16H,5-6,8H2,1-2H3
InChIKeyYJKDSWBVJLWSNX-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-piperidin-4-ylindole
CID 84625558
3-(5-chloro-2-ethenyl-3-methylindol-1-yl)piperidin-4-ol
CID 123823024
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
CID 84632385
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
6-chloro-1,7-dimethyl-2-pyrrolidin-3-ylindole
CID 84633378
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
1-methyl-3-pyrrolidin-3-yl-2-(trifluoromethyl)indole
CID 84640689
6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 84741078
5-chloro-3-methyl-2-(1-methylpiperazin-2-yl)-1H-indole
CID 82666813
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
CID 82666551
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole?
The IUPAC name of 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole (CID 84633326) is 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole?
The canonical SMILES for 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole is Cc1c(C2CCNC2)n(C)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole?
The InChIKey is YJKDSWBVJLWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-12-7-11(15)3-4-13(12)17(2)14(9)10-5-6-16-8-10/h3-4,7,10,16H,5-6,8H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole?
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole has a molecular weight of 248.76 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole is sourced from PubChem (CID 84633326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).