(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione

C21H21NO3 — CID 54601476

IUPAC(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H21NO3/c1-14(2)16-6-4-15(5-7-16)12-17-13-20(23)22(21(17)24)18-8-10-19(25-3)11-9-18/h4-12,14H,13H2,1-3H3/b17-12-
InChIKeyMRFTYKHBSOCUAM-ATVHPVEESA-N
MW335.40 g/mol
LogP4.17
Rot. Bonds4

About (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione

(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 54601476) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID54601476
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C21H21NO3/c1-14(2)16-6-4-15(5-7-16)12-17-13-20(23)22(21(17)24)18-8-10-19(25-3)11-9-18/h4-12,14H,13H2,1-3H3/b17-12-
InChIKeyMRFTYKHBSOCUAM-ATVHPVEESA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(dimethylamino)phenyl]methylidene]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3724923
(3E)-1-(4-acetylphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 53369154
6-methoxy-2-[(4-propan-2-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2738104
1-(4-acetylphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 71963664
3-[[4-(4-chlorophenoxy)phenyl]methylidene]-1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]pyrrolidine-2,5-dione
CID 142712150
(3E)-1-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 110458029
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
3-benzylidene-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 71373124
(5Z)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837372
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110593744
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
5-[(4-ethoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 1359018

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione (CID 54601476) is (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1.
What is the InChIKey of (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is MRFTYKHBSOCUAM-ATVHPVEESA-N. The full InChI is InChI=1S/C21H21NO3/c1-14(2)16-6-4-15(5-7-16)12-17-13-20(23)22(21(17)24)18-8-10-19(25-3)11-9-18/h4-12,14H,13H2,1-3H3/b17-12-.
What are the key properties of (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione?
(3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 335.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 54601476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).