(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione

C7H9NO2 — CID 131243894

IUPAC(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
SMILESCC=C1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJLAQEZKQOIVCTK-BYPYZUCNSA-N
MW139.15 g/mol
LogP0.23
Rot. Bonds

About (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione

(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione (PubChem CID 131243894) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
PubChem CID131243894
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
SMILESCC=C1C(=O)NC(=O)[C@H]1C
InChIInChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/t4-/m0/s1
InChIKeyJLAQEZKQOIVCTK-BYPYZUCNSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-ethylidene-4-methylpyrrolidine-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

3-(Propan-2-ylidene)pyrrolidine-2,5-dione
CID 263763
4-(1-Methylethylidene)-2,5-dioxopyrrolidine-3-carboxamide
CID 263643
Ethyl maleimide
CID 14671028
Isobutenylsuccinimide
CID 21257458
3-Ethylidene-2,5-pyrrolidinedione
CID 59906841
(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
Cyclopenta[c]pyrrole-1,3-dione
CID 156612494
3-(2-Fluoropropan-2-yl)pyrrole-2,5-dione
CID 139973209
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645805
(3Z)-3-ethylidenepyrrolidine-2,5-dione
CID 117796337
3-Ethylidene-4-methylpyrrolidine-2,5-dione
CID 53439587
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154709685

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione (CID 131243894) is (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione is CC=C1C(=O)NC(=O)[C@H]1C.
What is the InChIKey of (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
The InChIKey is JLAQEZKQOIVCTK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3-4H,1-2H3,(H,8,9,10)/t4-/m0/s1.
What are the key properties of (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione?
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 131243894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).