(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione

C20H20N2O2 — CID 170913738

IUPAC(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione
SMILESCCNC1C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-21-18-17(13-15-9-5-3-6-10-15)19(23)22(20(18)24)14-16-11-7-4-8-12-16/h3-13,18,21H,2,14H2,1H3/b17-13-
InChIKeyYPXDNXJMRFZIAV-LGMDPLHJSA-N
MW320.39 g/mol
LogP2.62
Rot. Bonds5

About (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione

(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione (PubChem CID 170913738) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione
PubChem CID170913738
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione
SMILESCCNC1C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-2-21-18-17(13-15-9-5-3-6-10-15)19(23)22(20(18)24)14-16-11-7-4-8-12-16/h3-13,18,21H,2,14H2,1H3/b17-13-
InChIKeyYPXDNXJMRFZIAV-LGMDPLHJSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
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

(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
CID 10521059
3-(ethylamino)-1-propyl-3H-indol-2-one
CID 82238885
1-benzyl-3,5-dibenzylidenepiperidin-4-one;N-ethylethanamine
CID 67689630
(3E)-1-benzyl-3-benzylidene-5-phenylpyrrol-2-one
CID 5476544
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(5E)-3,4-dibenzyl-5-benzylidene-1,3-oxazolidin-2-one
CID 177447043
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274
1-benzyl-3,4-bis(trimethylsilyl)pyrrolidine-2,5-dione
CID 10544651
3-benzyl-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2914071

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione (CID 170913738) is (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione is CCNC1C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1.
What is the InChIKey of (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione?
The InChIKey is YPXDNXJMRFZIAV-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-21-18-17(13-15-9-5-3-6-10-15)19(23)22(20(18)24)14-16-11-7-4-8-12-16/h3-13,18,21H,2,14H2,1H3/b17-13-.
What are the key properties of (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione?
(3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione has a molecular weight of 320.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-benzylidene-4-(ethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 170913738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).