1-prop-2-ynylpyrrolidine-2,5-dione

C7H7NO2 — CID 4737238

IUPAC1-prop-2-ynylpyrrolidine-2,5-dione
SMILESC#CCN1C(=O)CCC1=O
InChIInChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2
InChIKeyDOTAQRZGKATJIC-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.23
Rot. Bonds1

About 1-prop-2-ynylpyrrolidine-2,5-dione

1-prop-2-ynylpyrrolidine-2,5-dione (PubChem CID 4737238) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-prop-2-ynylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-prop-2-ynylpyrrolidine-2,5-dione
PubChem CID4737238
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name1-prop-2-ynylpyrrolidine-2,5-dione
SMILESC#CCN1C(=O)CCC1=O
InChIInChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2
InChIKeyDOTAQRZGKATJIC-UHFFFAOYSA-N
XLogP-0.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynylpyrrolidine-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-prop-2-ynylpyrrolidine-2,5-dione?
The IUPAC name of 1-prop-2-ynylpyrrolidine-2,5-dione (CID 4737238) is 1-prop-2-ynylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-prop-2-ynylpyrrolidine-2,5-dione?
The canonical SMILES for 1-prop-2-ynylpyrrolidine-2,5-dione is C#CCN1C(=O)CCC1=O.
What is the InChIKey of 1-prop-2-ynylpyrrolidine-2,5-dione?
The InChIKey is DOTAQRZGKATJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-2-5-8-6(9)3-4-7(8)10/h1H,3-5H2.
What are the key properties of 1-prop-2-ynylpyrrolidine-2,5-dione?
1-prop-2-ynylpyrrolidine-2,5-dione has a molecular weight of 137.14 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpyrrolidine-2,5-dione is sourced from PubChem (CID 4737238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).