[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone

C20H20N2O — CID 70686769

IUPAC[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H20N2O/c1-14-6-2-3-7-16(14)20(23)22-11-10-15(13-22)18-12-21-19-9-5-4-8-17(18)19/h2-9,12,15,21H,10-11,13H2,1H3
InChIKeyIAMRTQDRZXQFNF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.11
Rot. Bonds2

About [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 70686769) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
PubChem CID70686769
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H20N2O/c1-14-6-2-3-7-16(14)20(23)22-11-10-15(13-22)18-12-21-19-9-5-4-8-17(18)19/h2-9,12,15,21H,10-11,13H2,1H3
InChIKeyIAMRTQDRZXQFNF-UHFFFAOYSA-N
XLogP4.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone (CID 70686769) is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is IAMRTQDRZXQFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-6-2-3-7-16(14)20(23)22-11-10-15(13-22)18-12-21-19-9-5-4-8-17(18)19/h2-9,12,15,21H,10-11,13H2,1H3.
What are the key properties of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone?
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 304.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 70686769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).