3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole

C13H15ClN2 — CID 117341459

IUPAC3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole
SMILESCC1(c2ccc3[nH]cc(Cl)c3c2)CCCN1
InChIInChI=1S/C13H15ClN2/c1-13(5-2-6-16-13)9-3-4-12-10(7-9)11(14)8-15-12/h3-4,7-8,15-16H,2,5-6H2,1H3
InChIKeyOJJIVFXKHWJKRX-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.42
Rot. Bonds1

About 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole

3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole (PubChem CID 117341459) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole.

Molecular Properties

Compound Name3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole
PubChem CID117341459
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole
SMILESCC1(c2ccc3[nH]cc(Cl)c3c2)CCCN1
InChIInChI=1S/C13H15ClN2/c1-13(5-2-6-16-13)9-3-4-12-10(7-9)11(14)8-15-12/h3-4,7-8,15-16H,2,5-6H2,1H3
InChIKeyOJJIVFXKHWJKRX-UHFFFAOYSA-N
XLogP3.42
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
1-(3-chloro-1H-indol-5-yl)cyclobutan-1-amine
CID 117315065
1-(3-chloro-1H-indol-5-yl)cyclopropan-1-amine
CID 84779300
2-(3-chloro-4-cyclohexylphenyl)-2-methylpyrrolidine
CID 117445362
6-(2-methylpyrrolidin-2-yl)-9H-pyrido[3,4-b]indole
CID 117381861
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117445308
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
1-[2-chloro-4-(2-methylpyrrolidin-2-yl)phenyl]-1,2,4-triazole
CID 117411502
2-(3-chloro-5-methylphenyl)-2-methylpyrrolidine
CID 117299720
1,4-dimethyl-6-(2-methylpyrrolidin-2-yl)-2,3-dihydroquinoxaline
CID 117366263
2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
CID 117455118
1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine
CID 117315066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole?
The IUPAC name of 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole (CID 117341459) is 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole.
What is the SMILES notation for 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole?
The canonical SMILES for 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole is CC1(c2ccc3[nH]cc(Cl)c3c2)CCCN1.
What is the InChIKey of 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole?
The InChIKey is OJJIVFXKHWJKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-13(5-2-6-16-13)9-3-4-12-10(7-9)11(14)8-15-12/h3-4,7-8,15-16H,2,5-6H2,1H3.
What are the key properties of 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole?
3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole has a molecular weight of 234.73 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methylpyrrolidin-2-yl)-1H-indole is sourced from PubChem (CID 117341459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).