(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one

C26H25NO — CID 137397202

IUPAC(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1C(=O)CC/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c1-2-25(23-11-7-4-8-12-23)27-24(17-18-26(27)28)19-20-13-15-22(16-14-20)21-9-5-3-6-10-21/h3-16,19,25H,2,17-18H2,1H3/b24-19+/t25-/m0/s1
InChIKeySNYYYMHUAPONOA-POQGPQTDSA-N
MW367.49 g/mol
LogP6.47
Rot. Bonds5

About (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one

(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one (PubChem CID 137397202) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
PubChem CID137397202
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1C(=O)CC/C1=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H25NO/c1-2-25(23-11-7-4-8-12-23)27-24(17-18-26(27)28)19-20-13-15-22(16-14-20)21-9-5-3-6-10-21/h3-16,19,25H,2,17-18H2,1H3/b24-19+/t25-/m0/s1
InChIKeySNYYYMHUAPONOA-POQGPQTDSA-N
XLogP6.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The IUPAC name of (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one (CID 137397202) is (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one.
What is the SMILES notation for (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The canonical SMILES for (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one is CC[C@@H](c1ccccc1)N1C(=O)CC/C1=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
The InChIKey is SNYYYMHUAPONOA-POQGPQTDSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-25(23-11-7-4-8-12-23)27-24(17-18-26(27)28)19-20-13-15-22(16-14-20)21-9-5-3-6-10-21/h3-16,19,25H,2,17-18H2,1H3/b24-19+/t25-/m0/s1.
What are the key properties of (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one?
(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one has a molecular weight of 367.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 137397202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).