2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine

C22H23NO — CID 44627741

IUPAC2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,22H,8,13,16H2,1H3
InChIKeyGTXZQPRWWKNJQL-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.23
Rot. Bonds4

About 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine

2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine (PubChem CID 44627741) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine
PubChem CID44627741
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine
SMILESCN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,22H,8,13,16H2,1H3
InChIKeyGTXZQPRWWKNJQL-UHFFFAOYSA-N
XLogP5.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine?
The IUPAC name of 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine (CID 44627741) is 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine?
The canonical SMILES for 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine is CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine?
The InChIKey is GTXZQPRWWKNJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-23-16-8-13-19(23)20-14-15-21(24-20)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,22H,8,13,16H2,1H3.
What are the key properties of 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine?
2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine has a molecular weight of 317.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzhydrylfuran-2-yl)-1-methylpyrrolidine is sourced from PubChem (CID 44627741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).