1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione

C14H16N2O2 — CID 6611033

IUPAC1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
SMILESCN(C)C=C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-15(2)10-12-8-13(17)16(14(12)18)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyOYDNXUNMHZKSDE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.39
Rot. Bonds3

About 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione

1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione (PubChem CID 6611033) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
PubChem CID6611033
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
SMILESCN(C)C=C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O2/c1-15(2)10-12-8-13(17)16(14(12)18)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyOYDNXUNMHZKSDE-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione (CID 6611033) is 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione is CN(C)C=C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione?
The InChIKey is OYDNXUNMHZKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15(2)10-12-8-13(17)16(14(12)18)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione?
1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 6611033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).