(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione

C16H14ClNO2 — CID 11901092

IUPAC(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESO=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-12-3-5-13(6-4-12)18-14(19)9-16(15(18)20)8-10-1-2-11(16)7-10/h1-6,10-11H,7-9H2/t10-,11+,16-/m1/s1
InChIKeyZPSZPLQIOMGYOA-OHUAYANFSA-N
MW287.75 g/mol
LogP3.19
Rot. Bonds1

About (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione

(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (PubChem CID 11901092) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
PubChem CID11901092
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
SMILESO=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c17-12-3-5-13(6-4-12)18-14(19)9-16(15(18)20)8-10-1-2-11(16)7-10/h1-6,10-11H,7-9H2/t10-,11+,16-/m1/s1
InChIKeyZPSZPLQIOMGYOA-OHUAYANFSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione (CID 11901092) is (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is O=C1C[C@@]2(C[C@@H]3C=C[C@H]2C3)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
The InChIKey is ZPSZPLQIOMGYOA-OHUAYANFSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-12-3-5-13(6-4-12)18-14(19)9-16(15(18)20)8-10-1-2-11(16)7-10/h1-6,10-11H,7-9H2/t10-,11+,16-/m1/s1.
What are the key properties of (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione?
(1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione has a molecular weight of 287.75 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-1'-(4-chlorophenyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 11901092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).