2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone

C20H26N2O2 — CID 70047653

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CCc2ccccc21)C1CCN[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-18(13-15-8-7-14-5-1-2-6-16(14)15)17-9-10-21-19(17)20(24)22-11-3-4-12-22/h1-2,5-6,15,17,19,21H,3-4,7-13H2/t15?,17?,19-/m1/s1
InChIKeyAWAKOZXMAJEPIE-GXOAENINSA-N
MW326.44 g/mol
LogP2.28
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone

2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone (PubChem CID 70047653) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone
PubChem CID70047653
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CCc2ccccc21)C1CCN[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H26N2O2/c23-18(13-15-8-7-14-5-1-2-6-16(14)15)17-9-10-21-19(17)20(24)22-11-3-4-12-22/h1-2,5-6,15,17,19,21H,3-4,7-13H2/t15?,17?,19-/m1/s1
InChIKeyAWAKOZXMAJEPIE-GXOAENINSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone (CID 70047653) is 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone is O=C(CC1CCc2ccccc21)C1CCN[C@H]1C(=O)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone?
The InChIKey is AWAKOZXMAJEPIE-GXOAENINSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18(13-15-8-7-14-5-1-2-6-16(14)15)17-9-10-21-19(17)20(24)22-11-3-4-12-22/h1-2,5-6,15,17,19,21H,3-4,7-13H2/t15?,17?,19-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone?
2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 70047653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).