1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione

C11H14N2O2 — CID 118889138

IUPAC1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cc[nH]c1
InChIInChI=1S/C11H14N2O2/c14-10-2-1-3-11(15)13(10)7-5-9-4-6-12-8-9/h4,6,8,12H,1-3,5,7H2
InChIKeyFDSLWEBNLKWABC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.10
Rot. Bonds3

About 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione

1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione (PubChem CID 118889138) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione
PubChem CID118889138
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cc[nH]c1
InChIInChI=1S/C11H14N2O2/c14-10-2-1-3-11(15)13(10)7-5-9-4-6-12-8-9/h4,6,8,12H,1-3,5,7H2
InChIKeyFDSLWEBNLKWABC-UHFFFAOYSA-N
XLogP1.10
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione (CID 118889138) is 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCc1cc[nH]c1.
What is the InChIKey of 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione?
The InChIKey is FDSLWEBNLKWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-2-1-3-11(15)13(10)7-5-9-4-6-12-8-9/h4,6,8,12H,1-3,5,7H2.
What are the key properties of 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione?
1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione has a molecular weight of 206.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 118889138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).