6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole

C14H17ClN2O — CID 84639752

IUPAC6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
SMILESCOc1cc2cc(C3CCCN3)n(C)c2cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-17-12-8-10(15)14(18-2)7-9(12)6-13(17)11-4-3-5-16-11/h6-8,11,16H,3-5H2,1-2H3
InChIKeyDTUYEHPKRYEXKQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.26
Rot. Bonds2

About 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole

6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole (PubChem CID 84639752) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole.

Molecular Properties

Compound Name6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
PubChem CID84639752
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
SMILESCOc1cc2cc(C3CCCN3)n(C)c2cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-17-12-8-10(15)14(18-2)7-9(12)6-13(17)11-4-3-5-16-11/h6-8,11,16H,3-5H2,1-2H3
InChIKeyDTUYEHPKRYEXKQ-UHFFFAOYSA-N
XLogP3.26
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1,5-dimethyl-2-pyrrolidin-2-ylindole
CID 84631498
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
7-methoxy-1,4-dimethyl-2-pyrrolidin-2-ylindole
CID 84631565
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole?
The IUPAC name of 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole (CID 84639752) is 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole.
What is the SMILES notation for 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole?
The canonical SMILES for 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole is COc1cc2cc(C3CCCN3)n(C)c2cc1Cl.
What is the InChIKey of 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole?
The InChIKey is DTUYEHPKRYEXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17-12-8-10(15)14(18-2)7-9(12)6-13(17)11-4-3-5-16-11/h6-8,11,16H,3-5H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole?
6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole has a molecular weight of 264.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole is sourced from PubChem (CID 84639752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).