1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one

C23H24Cl2N2O3 — CID 67309877

IUPAC1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCC(O)C2)c1
InChIInChI=1S/C23H24Cl2N2O3/c24-14-9-19-18(20(25)10-14)12-21(26-8-6-16(28)13-26)23(19)30-17-4-1-3-15(11-17)27-7-2-5-22(27)29/h1,3-4,9-11,16,21,23,28H,2,5-8,12-13H2/t16?,21-,23-/m0/s1
InChIKeyJKNQESCVDPCLHV-JOVCLPEHSA-N
MW447.36 g/mol
LogP4.23
Rot. Bonds4

About 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one

1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one (PubChem CID 67309877) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
PubChem CID67309877
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC Name1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCC(O)C2)c1
InChIInChI=1S/C23H24Cl2N2O3/c24-14-9-19-18(20(25)10-14)12-21(26-8-6-16(28)13-26)23(19)30-17-4-1-3-15(11-17)27-7-2-5-22(27)29/h1,3-4,9-11,16,21,23,28H,2,5-8,12-13H2/t16?,21-,23-/m0/s1
InChIKeyJKNQESCVDPCLHV-JOVCLPEHSA-N
XLogP4.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one (CID 67309877) is 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCC(O)C2)c1.
What is the InChIKey of 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one?
The InChIKey is JKNQESCVDPCLHV-JOVCLPEHSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c24-14-9-19-18(20(25)10-14)12-21(26-8-6-16(28)13-26)23(19)30-17-4-1-3-15(11-17)27-7-2-5-22(27)29/h1,3-4,9-11,16,21,23,28H,2,5-8,12-13H2/t16?,21-,23-/m0/s1.
What are the key properties of 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one?
1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one has a molecular weight of 447.36 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 67309877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).