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

C23H26N2O2 — CID 58393580

IUPAC1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C23H26N2O2/c26-22-11-6-14-25(22)18-8-5-9-19(16-18)27-23-20-10-2-1-7-17(20)15-21(23)24-12-3-4-13-24/h1-2,5,7-10,16,21,23H,3-4,6,11-15H2/t21-,23-/m0/s1
InChIKeyJOCWCPHOGRCPDZ-GMAHTHKFSA-N
MW362.47 g/mol
LogP3.95
Rot. Bonds4

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

1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one (PubChem CID 58393580) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
PubChem CID58393580
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C23H26N2O2/c26-22-11-6-14-25(22)18-8-5-9-19(16-18)27-23-20-10-2-1-7-17(20)15-21(23)24-12-3-4-13-24/h1-2,5,7-10,16,21,23H,3-4,6,11-15H2/t21-,23-/m0/s1
InChIKeyJOCWCPHOGRCPDZ-GMAHTHKFSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one (CID 58393580) is 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(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]pyrrolidin-2-one?
The InChIKey is JOCWCPHOGRCPDZ-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22-11-6-14-25(22)18-8-5-9-19(16-18)27-23-20-10-2-1-7-17(20)15-21(23)24-12-3-4-13-24/h1-2,5,7-10,16,21,23H,3-4,6,11-15H2/t21-,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]pyrrolidin-2-one?
1-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 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]pyrrolidin-2-one is sourced from PubChem (CID 58393580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).