3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol

C19H19ClN2O — CID 44591043

IUPAC3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H19ClN2O/c20-16-7-5-15(6-8-16)19(23)9-10-22(13-19)12-14-11-21-18-4-2-1-3-17(14)18/h1-8,11,21,23H,9-10,12-13H2
InChIKeyPVPFHWKNLSESPB-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.91
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol

3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 44591043) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol
PubChem CID44591043
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C19H19ClN2O/c20-16-7-5-15(6-8-16)19(23)9-10-22(13-19)12-14-11-21-18-4-2-1-3-17(14)18/h1-8,11,21,23H,9-10,12-13H2
InChIKeyPVPFHWKNLSESPB-UHFFFAOYSA-N
XLogP3.91
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 44591089
3-(4-chlorophenyl)-8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 44591042
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
1'-(1H-indol-3-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134790387
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 2812594
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
1-[1'-(1H-indol-3-ylmethyl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
CID 134790547
1-(1H-indol-3-ylmethyl)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445854

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol (CID 44591043) is 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol is OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is PVPFHWKNLSESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-16-7-5-15(6-8-16)19(23)9-10-22(13-19)12-14-11-21-18-4-2-1-3-17(14)18/h1-8,11,21,23H,9-10,12-13H2.
What are the key properties of 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol?
3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 326.83 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 44591043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).