[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone

C20H20N2O — CID 59744730

IUPAC[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCCN1
InChIInChI=1S/C20H20N2O/c23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15/h1-3,5-9,12-13,21-22H,4,10-11,14H2/t20-/m1/s1
InChIKeyLPLLJFFJYKVRLO-HXUWFJFHSA-N
MW304.39 g/mol
LogP3.72
Rot. Bonds4

About [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone

[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone (PubChem CID 59744730) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
PubChem CID59744730
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCCN1
InChIInChI=1S/C20H20N2O/c23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15/h1-3,5-9,12-13,21-22H,4,10-11,14H2/t20-/m1/s1
InChIKeyLPLLJFFJYKVRLO-HXUWFJFHSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2-butylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone
CID 142700643
(3-benzylpyrrolidin-3-yl)-(1H-indol-5-yl)methanone;hydrochloride
CID 66688221
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
lithium;[2-benzyl-2-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(2R)-2-benzyl-2-methoxycarbonylpyrrolidin-1-yl]-methylborinic acid;(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone;[2-benzyl-2-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;2-methylpropane;hydrochloride
CID 158900568
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398128
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398127

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone (CID 59744730) is [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone is O=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCCN1.
What is the InChIKey of [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone?
The InChIKey is LPLLJFFJYKVRLO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O/c23-19(17-7-8-18-16(13-17)9-12-21-18)20(10-4-11-22-20)14-15-5-2-1-3-6-15/h1-3,5-9,12-13,21-22H,4,10-11,14H2/t20-/m1/s1.
What are the key properties of [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone?
[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 59744730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).