1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol

C24H23NO — CID 10337390

IUPAC1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol
SMILESOc1ccc2c(c1)Cc1ccccc1C21CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H23NO/c26-21-10-11-23-20(15-21)14-19-8-4-5-9-22(19)24(23)12-13-25(17-24)16-18-6-2-1-3-7-18/h1-11,15,26H,12-14,16-17H2
InChIKeyKDZIGMZKLLZPSS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.49
Rot. Bonds2

About 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol

1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol (PubChem CID 10337390) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol.

Molecular Properties

Compound Name1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol
PubChem CID10337390
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol
SMILESOc1ccc2c(c1)Cc1ccccc1C21CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H23NO/c26-21-10-11-23-20(15-21)14-19-8-4-5-9-22(19)24(23)12-13-25(17-24)16-18-6-2-1-3-7-18/h1-11,15,26H,12-14,16-17H2
InChIKeyKDZIGMZKLLZPSS-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol?
The IUPAC name of 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol (CID 10337390) is 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol.
What is the SMILES notation for 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol?
The canonical SMILES for 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol is Oc1ccc2c(c1)Cc1ccccc1C21CCN(Cc2ccccc2)C1.
What is the InChIKey of 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol?
The InChIKey is KDZIGMZKLLZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c26-21-10-11-23-20(15-21)14-19-8-4-5-9-22(19)24(23)12-13-25(17-24)16-18-6-2-1-3-7-18/h1-11,15,26H,12-14,16-17H2.
What are the key properties of 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol?
1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol has a molecular weight of 341.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol is sourced from PubChem (CID 10337390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).