1-ethenylpyrrolidin-2-one;furan-2,5-dione

C10H11NO4 — CID 22904624

IUPAC1-ethenylpyrrolidin-2-one;furan-2,5-dione
SMILESC=CN1CCCC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H
InChIKeyKTHZGUZLCWLVKL-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.38
Rot. Bonds1

About 1-ethenylpyrrolidin-2-one;furan-2,5-dione

1-ethenylpyrrolidin-2-one;furan-2,5-dione (PubChem CID 22904624) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;furan-2,5-dione.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;furan-2,5-dione
PubChem CID22904624
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-ethenylpyrrolidin-2-one;furan-2,5-dione
SMILESC=CN1CCCC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H
InChIKeyKTHZGUZLCWLVKL-UHFFFAOYSA-N
XLogP0.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-ethenylpyrrolidin-2-one;furan-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

methyl (2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 5385876
2-Propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2E)-
CID 351259
Ethyl prop-2-enoate--1-ethenylpyrrolidin-2-one (1/1)
CID 168278
N-vinyl-2-pyrrolidinone dibutyl maleate
CID 6441621
1-Ethenylpyrrolidin-2-one;methyl prop-2-enoate
CID 21524937
(Z)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 69751421
(E)-but-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 6509670
ethyl (E)-4-oxo-4-(2-oxopyrrolidin-1-yl)but-2-enoate
CID 101480461
Ethyl(2E)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 6422167
ethyl (Z)-3-(2-oxopyrrolidin-1-yl)prop-2-enoate
CID 12036925
Dibutyl but-2-enedioate;1-ethenylpyrrolidin-2-one
CID 170388
But-2-enedioic acid;1-ethenylpyrrolidin-2-one
CID 293812

Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The IUPAC name of 1-ethenylpyrrolidin-2-one;furan-2,5-dione (CID 22904624) is 1-ethenylpyrrolidin-2-one;furan-2,5-dione.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;furan-2,5-dione is C=CN1CCCC1=O.O=C1C=CC(=O)O1.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The InChIKey is KTHZGUZLCWLVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H.
What are the key properties of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
1-ethenylpyrrolidin-2-one;furan-2,5-dione has a molecular weight of 209.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;furan-2,5-dione is sourced from PubChem (CID 22904624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).