3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione

C16H18N2O3 — CID 58623661

IUPAC3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione
SMILESCCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC2=C1
InChIInChI=1S/C16H18N2O3/c1-2-10-4-3-5-12-11(8-10)9-18(16(12)21)13-6-7-14(19)17-15(13)20/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,19,20)
InChIKeyYLKINDJXSSHVBW-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.08
Rot. Bonds2

About 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione

3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione (PubChem CID 58623661) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione
PubChem CID58623661
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione
SMILESCCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC2=C1
InChIInChI=1S/C16H18N2O3/c1-2-10-4-3-5-12-11(8-10)9-18(16(12)21)13-6-7-14(19)17-15(13)20/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,19,20)
InChIKeyYLKINDJXSSHVBW-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-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-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione (CID 58623661) is 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione is CCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC2=C1.
What is the InChIKey of 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione?
The InChIKey is YLKINDJXSSHVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-10-4-3-5-12-11(8-10)9-18(16(12)21)13-6-7-14(19)17-15(13)20/h3-5,8,10,13H,2,6-7,9H2,1H3,(H,17,19,20).
What are the key properties of 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione?
3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 58623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).