ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate

C26H25NO2 — CID 138757158

IUPACethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H25NO2/c1-2-29-25(28)24-17-27(16-19-10-4-3-5-11-19)18-26(24)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-18H2,1H3
InChIKeyMVXIMFGAPXVCIN-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.65
Rot. Bonds4

About ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate

ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate (PubChem CID 138757158) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate
PubChem CID138757158
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Nameethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate
SMILESCCOC(=O)C1CN(Cc2ccccc2)CC12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H25NO2/c1-2-29-25(28)24-17-27(16-19-10-4-3-5-11-19)18-26(24)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-18H2,1H3
InChIKeyMVXIMFGAPXVCIN-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate?
The IUPAC name of ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate (CID 138757158) is ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate.
What is the SMILES notation for ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate?
The canonical SMILES for ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate is CCOC(=O)C1CN(Cc2ccccc2)CC12c1ccccc1-c1ccccc12.
What is the InChIKey of ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate?
The InChIKey is MVXIMFGAPXVCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-2-29-25(28)24-17-27(16-19-10-4-3-5-11-19)18-26(24)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-18H2,1H3.
What are the key properties of ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate?
ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-benzylspiro[fluorene-9,4'-pyrrolidine]-3'-carboxylate is sourced from PubChem (CID 138757158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).