1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione

C22H22NO2+ — CID 87920205

IUPAC1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione
SMILESO=C1CCC(=O)[N+]1([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H22NO2/c24-21-13-14-22(25)23(21,19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2/q+1/t19-,20-/m1/s1
InChIKeyPUNPELDJPQZUGN-WOJBJXKFSA-N
MW332.42 g/mol
LogP4.03
Rot. Bonds2

About 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione

1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione (PubChem CID 87920205) has the molecular formula C22H22NO2+ and a molecular weight of 332.42 g/mol. Its IUPAC name is 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione.

Molecular Properties

Compound Name1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione
PubChem CID87920205
Molecular FormulaC22H22NO2+
Molecular Weight332.42 g/mol
Exact Mass332.16
IUPAC Name1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione
SMILESO=C1CCC(=O)[N+]1([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H22NO2/c24-21-13-14-22(25)23(21,19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2/q+1/t19-,20-/m1/s1
InChIKeyPUNPELDJPQZUGN-WOJBJXKFSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione with MolForge

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Related Compounds

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CID 11170996
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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione?
The IUPAC name of 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione (CID 87920205) is 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione.
What is the SMILES notation for 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione?
The canonical SMILES for 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione is O=C1CCC(=O)[N+]1([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21.
What is the InChIKey of 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione?
The InChIKey is PUNPELDJPQZUGN-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H22NO2/c24-21-13-14-22(25)23(21,19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2/q+1/t19-,20-/m1/s1.
What are the key properties of 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione?
1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione has a molecular weight of 332.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione is sourced from PubChem (CID 87920205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).