[(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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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).