(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

C21H25N3O — CID 40797023

About (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 40797023) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 40797023
• Molecular Formula: C21H25N3O
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.20
• IUPAC Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1cccn1C
• InChI: InChI=1S/C21H25N3O/c1-14-20(16-8-4-5-9-17(16)22-14)21(25)15(2)24-13-7-11-19(24)18-10-6-12-23(18)3/h4-6,8-10,12,15,19,22H,7,11,13H2,1-3H3/t15-,19+/m0/s1
• InChIKey: QRSBEGZJEAHYSN-HNAYVOBHSA-N
• XLogP: 4.22
• TPSA: 41.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 40797023) is (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1cccn1C.

What is the InChIKey of (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is QRSBEGZJEAHYSN-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-20(16-8-4-5-9-17(16)22-14)21(25)15(2)24-13-7-11-19(24)18-10-6-12-23(18)3/h4-6,8-10,12,15,19,22H,7,11,13H2,1-3H3/t15-,19+/m0/s1.

What are the key properties of (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?

(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 40797023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).