1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione

C17H22N2O4 — CID 118900919

IUPAC1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/C1CC(=O)N(CC(C)N2C(=O)CC(/C=C/C)C2=O)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-6-12-8-14(20)18(16(12)22)10-11(3)19-15(21)9-13(7-5-2)17(19)23/h4-7,11-13H,8-10H2,1-3H3/b6-4+,7-5+
InChIKeyBPSWAQPYQTUJCM-YDFGWWAZSA-N
MW318.37 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione

1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione (PubChem CID 118900919) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
PubChem CID118900919
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/C1CC(=O)N(CC(C)N2C(=O)CC(/C=C/C)C2=O)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-6-12-8-14(20)18(16(12)22)10-11(3)19-15(21)9-13(7-5-2)17(19)23/h4-7,11-13H,8-10H2,1-3H3/b6-4+,7-5+
InChIKeyBPSWAQPYQTUJCM-YDFGWWAZSA-N
XLogP1.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione (CID 118900919) is 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione is C/C=C/C1CC(=O)N(CC(C)N2C(=O)CC(/C=C/C)C2=O)C1=O.
What is the InChIKey of 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The InChIKey is BPSWAQPYQTUJCM-YDFGWWAZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-6-12-8-14(20)18(16(12)22)10-11(3)19-15(21)9-13(7-5-2)17(19)23/h4-7,11-13H,8-10H2,1-3H3/b6-4+,7-5+.
What are the key properties of 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione has a molecular weight of 318.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-dioxo-3-[(E)-prop-1-enyl]pyrrolidin-1-yl]propyl]-3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118900919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).