3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione

C10H10N2O4 — CID 66838839

IUPAC3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione
SMILESC=C1CC(=O)NC1=O.CC1=CC(=O)NC1=O
InChIInChI=1S/2C5H5NO2/c2*1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8);1-2H2,(H,6,7,8)
InChIKeyRHYZLZWOILIKKZ-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.82
Rot. Bonds

About 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione

3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione (PubChem CID 66838839) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione
PubChem CID66838839
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione
SMILESC=C1CC(=O)NC1=O.CC1=CC(=O)NC1=O
InChIInChI=1S/2C5H5NO2/c2*1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8);1-2H2,(H,6,7,8)
InChIKeyRHYZLZWOILIKKZ-UHFFFAOYSA-N
XLogP-0.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 131243894
3-Ethylidene-2,5-pyrrolidinedione
CID 59906841
(3Z)-3-ethylidenepyrrolidine-2,5-dione
CID 117796337
3-Ethylidene-4-methylpyrrolidine-2,5-dione
CID 53439587
3-Ethylpyrrole-2,5-dione;pyrrole-2,5-dione
CID 18519653
(3E)-3-ethylidene-2,5-Pyrrolidinedione
CID 21718838
3-Pentylidenepyrrolidine-2,5-dione
CID 54234486
2-methylidene-N,N'-bis(2-methylprop-2-enoyl)butanediamide
CID 57029495
3-Butylidenesuccinimide
CID 57055835
2-methylidene-N,N'-di(prop-2-enoyl)butanediamide
CID 57291508
(3Z)-3-(2,2-dimethylpropylidene)pyrrolidine-2,5-dione
CID 64435254

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione?
The IUPAC name of 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione (CID 66838839) is 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione?
The canonical SMILES for 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione is C=C1CC(=O)NC1=O.CC1=CC(=O)NC1=O.
What is the InChIKey of 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione?
The InChIKey is RHYZLZWOILIKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO2/c2*1-3-2-4(7)6-5(3)8/h2H,1H3,(H,6,7,8);1-2H2,(H,6,7,8).
What are the key properties of 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione?
3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione has a molecular weight of 222.20 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepyrrolidine-2,5-dione;3-methylpyrrole-2,5-dione is sourced from PubChem (CID 66838839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).