3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione

C14H23NO2 — CID 175965435

IUPAC3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione
SMILES[2H]C(CC)C1C(=O)NC(=O)C1C([2H])CCC=CCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-10-12-11(9-4-2)13(16)15-14(12)17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,15,16,17)/i9D,10D
InChIKeyWIMJCWOUYMSHBO-QDRJLNDYSA-N
MW239.36 g/mol
LogP2.81
Rot. Bonds7

About 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione

3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione (PubChem CID 175965435) has the molecular formula C14H23NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione
PubChem CID175965435
Molecular FormulaC14H23NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione
SMILES[2H]C(CC)C1C(=O)NC(=O)C1C([2H])CCC=CCC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-10-12-11(9-4-2)13(16)15-14(12)17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,15,16,17)/i9D,10D
InChIKeyWIMJCWOUYMSHBO-QDRJLNDYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)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 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione (CID 175965435) is 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione is [2H]C(CC)C1C(=O)NC(=O)C1C([2H])CCC=CCC.
What is the InChIKey of 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione?
The InChIKey is WIMJCWOUYMSHBO-QDRJLNDYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-7-8-10-12-11(9-4-2)13(16)15-14(12)17/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,15,16,17)/i9D,10D.
What are the key properties of 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione?
3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione has a molecular weight of 239.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-deuteriohept-4-enyl)-4-(1-deuteriopropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 175965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).