1-prop-2-ynylpiperidine-2,5-dione

C8H9NO2 — CID 138040412

IUPAC1-prop-2-ynylpiperidine-2,5-dione
SMILESC#CCN1CC(=O)CCC1=O
InChIInChI=1S/C8H9NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h1H,3-6H2
InChIKeyPESABWFEQDHXLK-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.19
Rot. Bonds1

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

1-prop-2-ynylpiperidine-2,5-dione (PubChem CID 138040412) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-prop-2-ynylpiperidine-2,5-dione.

Molecular Properties

Compound Name1-prop-2-ynylpiperidine-2,5-dione
PubChem CID138040412
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name1-prop-2-ynylpiperidine-2,5-dione
SMILESC#CCN1CC(=O)CCC1=O
InChIInChI=1S/C8H9NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h1H,3-6H2
InChIKeyPESABWFEQDHXLK-UHFFFAOYSA-N
XLogP-0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynylpiperidine-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

1-Methylpiperidine-2,5-dione
CID 45087316
1-(Pent-4-yn-1-yl)piperidine-2,4-dione
CID 106219888
1-(Prop-2-yn-1-yl)piperidin-2-one
CID 13289794
1-(2-Oxopropyl)piperidin-2-one
CID 22598396
1-Butylpiperidine-2,3-dione
CID 21680935
1-Methylpiperidine-2,3-dione
CID 12668538
1-Propanoylpiperidin-3-one
CID 18913726
1-(2-Oxopropyl)piperidine-2,5-dione
CID 22943062
1-Propylpiperidine-2,3-dione
CID 23552378
1-Propan-2-ylpiperidine-2,5-dione
CID 23574749
1-Pentylpiperidine-2,3-dione
CID 53940920
1-Pentanoylpiperidine-3,5-dione
CID 54271468

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpiperidine-2,5-dione?
The IUPAC name of 1-prop-2-ynylpiperidine-2,5-dione (CID 138040412) is 1-prop-2-ynylpiperidine-2,5-dione.
What is the SMILES notation for 1-prop-2-ynylpiperidine-2,5-dione?
The canonical SMILES for 1-prop-2-ynylpiperidine-2,5-dione is C#CCN1CC(=O)CCC1=O.
What is the InChIKey of 1-prop-2-ynylpiperidine-2,5-dione?
The InChIKey is PESABWFEQDHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h1H,3-6H2.
What are the key properties of 1-prop-2-ynylpiperidine-2,5-dione?
1-prop-2-ynylpiperidine-2,5-dione has a molecular weight of 151.17 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpiperidine-2,5-dione is sourced from PubChem (CID 138040412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).