1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione

C23H24N2O3 — CID 58394053

IUPAC1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)17-7-5-8-18(15-17)28-23-19-9-2-1-6-16(19)14-20(23)24-12-3-4-13-24/h1-2,5-9,15,20,23H,3-4,10-14H2/t20-,23-/m0/s1
InChIKeyDQPJRDBDIKYSAM-REWPJTCUSA-N
MW376.46 g/mol
LogP3.48
Rot. Bonds4

About 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione

1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione (PubChem CID 58394053) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione
PubChem CID58394053
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)17-7-5-8-18(15-17)28-23-19-9-2-1-6-16(19)14-20(23)24-12-3-4-13-24/h1-2,5-9,15,20,23H,3-4,10-14H2/t20-,23-/m0/s1
InChIKeyDQPJRDBDIKYSAM-REWPJTCUSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione (CID 58394053) is 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1.
What is the InChIKey of 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione?
The InChIKey is DQPJRDBDIKYSAM-REWPJTCUSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21-10-11-22(27)25(21)17-7-5-8-18(15-17)28-23-19-9-2-1-6-16(19)14-20(23)24-12-3-4-13-24/h1-2,5-9,15,20,23H,3-4,10-14H2/t20-,23-/m0/s1.
What are the key properties of 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione?
1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58394053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).