(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

C18H13Cl2NO2 — CID 67568917

IUPAC(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1C[C@@]2(C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)C(=O)N1
InChIInChI=1S/C18H13Cl2NO2/c19-14-6-5-10(7-15(14)20)12-8-18(9-16(22)21-17(18)23)13-4-2-1-3-11(12)13/h1-7,12H,8-9H2,(H,21,22,23)/t12-,18+/m0/s1
InChIKeyYZUAPXAKLPKBFT-KPZWWZAWSA-N
MW346.21 g/mol
LogP3.81
Rot. Bonds1

About (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 67568917) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID67568917
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1C[C@@]2(C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)C(=O)N1
InChIInChI=1S/C18H13Cl2NO2/c19-14-6-5-10(7-15(14)20)12-8-18(9-16(22)21-17(18)23)13-4-2-1-3-11(12)13/h1-7,12H,8-9H2,(H,21,22,23)/t12-,18+/m0/s1
InChIKeyYZUAPXAKLPKBFT-KPZWWZAWSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (CID 67568917) is (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is O=C1C[C@@]2(C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)C(=O)N1.
What is the InChIKey of (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is YZUAPXAKLPKBFT-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-14-6-5-10(7-15(14)20)12-8-18(9-16(22)21-17(18)23)13-4-2-1-3-11(12)13/h1-7,12H,8-9H2,(H,21,22,23)/t12-,18+/m0/s1.
What are the key properties of (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 346.21 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 67568917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).