2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine

C20H23N — CID 79971324

IUPAC2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
SMILESc1ccc(CC2NCCC2c2cccc(C3CC3)c2)cc1
InChIInChI=1S/C20H23N/c1-2-5-15(6-3-1)13-20-19(11-12-21-20)18-8-4-7-17(14-18)16-9-10-16/h1-8,14,16,19-21H,9-13H2
InChIKeySZVXSDNSFSMLAB-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.25
Rot. Bonds4

About 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine

2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine (PubChem CID 79971324) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
PubChem CID79971324
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
SMILESc1ccc(CC2NCCC2c2cccc(C3CC3)c2)cc1
InChIInChI=1S/C20H23N/c1-2-5-15(6-3-1)13-20-19(11-12-21-20)18-8-4-7-17(14-18)16-9-10-16/h1-8,14,16,19-21H,9-13H2
InChIKeySZVXSDNSFSMLAB-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine?
The IUPAC name of 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine (CID 79971324) is 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine.
What is the SMILES notation for 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine?
The canonical SMILES for 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine is c1ccc(CC2NCCC2c2cccc(C3CC3)c2)cc1.
What is the InChIKey of 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine?
The InChIKey is SZVXSDNSFSMLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-2-5-15(6-3-1)13-20-19(11-12-21-20)18-8-4-7-17(14-18)16-9-10-16/h1-8,14,16,19-21H,9-13H2.
What are the key properties of 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine?
2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine has a molecular weight of 277.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine is sourced from PubChem (CID 79971324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).