(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C26H23NO — CID 67325802

IUPAC(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESC=C1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C=Cc2ccccc2)C1=O
InChIInChI=1S/C26H23NO/c1-20-18-25(27(26(20)28)17-16-21-8-4-2-5-9-21)19-22-12-14-24(15-13-22)23-10-6-3-7-11-23/h2-17,25H,1,18-19H2/t25-/m0/s1
InChIKeyDJXBPPLFKQWTMK-VWLOTQADSA-N
MW365.48 g/mol
LogP5.72
Rot. Bonds5

About (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 67325802) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID67325802
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESC=C1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C=Cc2ccccc2)C1=O
InChIInChI=1S/C26H23NO/c1-20-18-25(27(26(20)28)17-16-21-8-4-2-5-9-21)19-22-12-14-24(15-13-22)23-10-6-3-7-11-23/h2-17,25H,1,18-19H2/t25-/m0/s1
InChIKeyDJXBPPLFKQWTMK-VWLOTQADSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 67325802) is (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is C=C1C[C@@H](Cc2ccc(-c3ccccc3)cc2)N(C=Cc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DJXBPPLFKQWTMK-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23NO/c1-20-18-25(27(26(20)28)17-16-21-8-4-2-5-9-21)19-22-12-14-24(15-13-22)23-10-6-3-7-11-23/h2-17,25H,1,18-19H2/t25-/m0/s1.
What are the key properties of (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
(5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methylidene-1-(2-phenylethenyl)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 67325802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).