3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole

C14H17BrN2 — CID 84643966

IUPAC3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
SMILESCc1ccc2c(Br)c(C3CCCN3)[nH]c2c1C
InChIInChI=1S/C14H17BrN2/c1-8-5-6-10-12(15)14(11-4-3-7-16-11)17-13(10)9(8)2/h5-6,11,16-17H,3-4,7H2,1-2H3
InChIKeyZBVHCHPGMCEAMU-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.97
Rot. Bonds1

About 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole

3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole (PubChem CID 84643966) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
PubChem CID84643966
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
SMILESCc1ccc2c(Br)c(C3CCCN3)[nH]c2c1C
InChIInChI=1S/C14H17BrN2/c1-8-5-6-10-12(15)14(11-4-3-7-16-11)17-13(10)9(8)2/h5-6,11,16-17H,3-4,7H2,1-2H3
InChIKeyZBVHCHPGMCEAMU-UHFFFAOYSA-N
XLogP3.97
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-cyclopropyl-6,7-dimethyl-1H-indole
CID 82379902
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
CID 84646082
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
CID 84643065
3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
CID 84646318
3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
CID 55293321
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole?
The IUPAC name of 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole (CID 84643966) is 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole?
The canonical SMILES for 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole is Cc1ccc2c(Br)c(C3CCCN3)[nH]c2c1C.
What is the InChIKey of 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole?
The InChIKey is ZBVHCHPGMCEAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-8-5-6-10-12(15)14(11-4-3-7-16-11)17-13(10)9(8)2/h5-6,11,16-17H,3-4,7H2,1-2H3.
What are the key properties of 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole?
3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole has a molecular weight of 293.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole is sourced from PubChem (CID 84643966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).