ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate

C22H25NO2 — CID 138757104

IUPACethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCc1ccccc12
InChIInChI=1S/C22H25NO2/c1-2-25-21(24)20-15-23(14-17-8-4-3-5-9-17)16-22(20)13-12-18-10-6-7-11-19(18)22/h3-11,20H,2,12-16H2,1H3
InChIKeyCBGNHZLVDCTWER-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.57
Rot. Bonds4

About ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate

ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate (PubChem CID 138757104) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate
PubChem CID138757104
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nameethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12CCc1ccccc12
InChIInChI=1S/C22H25NO2/c1-2-25-21(24)20-15-23(14-17-8-4-3-5-9-17)16-22(20)13-12-18-10-6-7-11-19(18)22/h3-11,20H,2,12-16H2,1H3
InChIKeyCBGNHZLVDCTWER-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate?
The IUPAC name of ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate (CID 138757104) is ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate.
What is the SMILES notation for ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate?
The canonical SMILES for ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)CC12CCc1ccccc12.
What is the InChIKey of ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate?
The InChIKey is CBGNHZLVDCTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-25-21(24)20-15-23(14-17-8-4-3-5-9-17)16-22(20)13-12-18-10-6-7-11-19(18)22/h3-11,20H,2,12-16H2,1H3.
What are the key properties of ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate?
ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-benzylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxylate is sourced from PubChem (CID 138757104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).