1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine

C21H25N — CID 67894839

IUPAC1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine
SMILESCC1CC(c2ccccc2)C(C)(/C=C/c2ccccc2)N1C
InChIInChI=1S/C21H25N/c1-17-16-20(19-12-8-5-9-13-19)21(2,22(17)3)15-14-18-10-6-4-7-11-18/h4-15,17,20H,16H2,1-3H3/b15-14+
InChIKeyDPTNSKPYDCHLJC-CCEZHUSRSA-N
MW291.44 g/mol
LogP4.97
Rot. Bonds3

About 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine

1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine (PubChem CID 67894839) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine.

Molecular Properties

Compound Name1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine
PubChem CID67894839
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine
SMILESCC1CC(c2ccccc2)C(C)(/C=C/c2ccccc2)N1C
InChIInChI=1S/C21H25N/c1-17-16-20(19-12-8-5-9-13-19)21(2,22(17)3)15-14-18-10-6-4-7-11-18/h4-15,17,20H,16H2,1-3H3/b15-14+
InChIKeyDPTNSKPYDCHLJC-CCEZHUSRSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The IUPAC name of 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine (CID 67894839) is 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine.
What is the SMILES notation for 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The canonical SMILES for 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine is CC1CC(c2ccccc2)C(C)(/C=C/c2ccccc2)N1C.
What is the InChIKey of 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine?
The InChIKey is DPTNSKPYDCHLJC-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H25N/c1-17-16-20(19-12-8-5-9-13-19)21(2,22(17)3)15-14-18-10-6-4-7-11-18/h4-15,17,20H,16H2,1-3H3/b15-14+.
What are the key properties of 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine?
1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine has a molecular weight of 291.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3-phenyl-2-[(E)-2-phenylethenyl]pyrrolidine is sourced from PubChem (CID 67894839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).