[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone

C21H27N3O2 — CID 120807043

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone (PubChem CID 120807043) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

• Compound Name: [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone
• PubChem CID: 120807043
• Molecular Formula: C21H27N3O2
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.21
• IUPAC Name: [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone
• SMILES: CC1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(C)(CN)C1
• InChI: InChI=1S/C21H27N3O2/c1-15-11-16-5-3-4-6-18(16)24(15)12-17-7-10-26-19(17)20(25)23-9-8-21(2,13-22)14-23/h3-7,10,15H,8-9,11-14,22H2,1-2H3
• InChIKey: VBXFYOXJFUHFSA-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 62.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone?

The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone (CID 120807043) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone.

What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone?

The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone is CC1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(C)(CN)C1.

What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone?

The InChIKey is VBXFYOXJFUHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-11-16-5-3-4-6-18(16)24(15)12-17-7-10-26-19(17)20(25)23-9-8-21(2,13-22)14-23/h3-7,10,15H,8-9,11-14,22H2,1-2H3.

What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone?

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 120807043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).