1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol

C15H21BrN2O — CID 162350038

IUPAC1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol
SMILESOC1CCN(CCCN2CCc3c(Br)cccc32)C1
InChIInChI=1S/C15H21BrN2O/c16-14-3-1-4-15-13(14)6-10-18(15)8-2-7-17-9-5-12(19)11-17/h1,3-4,12,19H,2,5-11H2
InChIKeyGPJFWDLWHZTIBW-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol

1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol (PubChem CID 162350038) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol
PubChem CID162350038
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol
SMILESOC1CCN(CCCN2CCc3c(Br)cccc32)C1
InChIInChI=1S/C15H21BrN2O/c16-14-3-1-4-15-13(14)6-10-18(15)8-2-7-17-9-5-12(19)11-17/h1,3-4,12,19H,2,5-11H2
InChIKeyGPJFWDLWHZTIBW-UHFFFAOYSA-N
XLogP2.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 69161955
1-[3-Bromo-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 69161961
4-Bromo-1-[3-(3-fluoropyrrolidin-1-yl)propyl]-2,3-dihydroindole
CID 162350066
1-[5-Bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 107289802
(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 107289826
(3S)-1-[5-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 107289827
1-[4-(Aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-ol
CID 107532348
4-Bromo-1-((3-fluorooxetan-3-yl)methyl)indoline
CID 146013083
(10Ar)-2-(9-bromo-3,4,10,10a-tetrahydro-1h-pyrazino[1,2-a]indol-2-yl)-ethanol
CID 20824937
2-(9-bromo-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)ethanol
CID 22338004
1-[3-bromo-4-ethyl-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 54029752
1-(3-bromo-N,4-dimethylanilino)propan-2-ol
CID 54152954

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol (CID 162350038) is 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol is OC1CCN(CCCN2CCc3c(Br)cccc32)C1.
What is the InChIKey of 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol?
The InChIKey is GPJFWDLWHZTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-14-3-1-4-15-13(14)6-10-18(15)8-2-7-17-9-5-12(19)11-17/h1,3-4,12,19H,2,5-11H2.
What are the key properties of 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol?
1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol has a molecular weight of 325.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2,3-dihydroindol-1-yl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 162350038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).