(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

C18H17NO3 — CID 132503449

IUPAC(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2ccc(O)cc2)/C(=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H17NO3/c1-19-11-17(13-4-8-15(21)9-5-13)16(18(19)22)10-12-2-6-14(20)7-3-12/h2-10,17,20-21H,11H2,1H3/b16-10-
InChIKeyXIBQIKJLVAVNHP-YBEGLDIGSA-N
MW295.34 g/mol
LogP2.74
Rot. Bonds2

About (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one

(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (PubChem CID 132503449) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
PubChem CID132503449
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2ccc(O)cc2)/C(=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C18H17NO3/c1-19-11-17(13-4-8-15(21)9-5-13)16(18(19)22)10-12-2-6-14(20)7-3-12/h2-10,17,20-21H,11H2,1H3/b16-10-
InChIKeyXIBQIKJLVAVNHP-YBEGLDIGSA-N
XLogP2.74
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The IUPAC name of (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one (CID 132503449) is (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is CN1CC(c2ccc(O)cc2)/C(=C/c2ccc(O)cc2)C1=O.
What is the InChIKey of (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
The InChIKey is XIBQIKJLVAVNHP-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19-11-17(13-4-8-15(21)9-5-13)16(18(19)22)10-12-2-6-14(20)7-3-12/h2-10,17,20-21H,11H2,1H3/b16-10-.
What are the key properties of (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one?
(3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 132503449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).