1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione

C11H14N2O2 — CID 148815490

IUPAC1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC1=CN=CC1
InChIInChI=1S/C11H14N2O2/c14-10-2-1-3-11(15)13(10)7-5-9-4-6-12-8-9/h6,8H,1-5,7H2
InChIKeyOQTBPFHOICRNOB-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds3

About 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione

1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione (PubChem CID 148815490) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione
PubChem CID148815490
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC1=CN=CC1
InChIInChI=1S/C11H14N2O2/c14-10-2-1-3-11(15)13(10)7-5-9-4-6-12-8-9/h6,8H,1-5,7H2
InChIKeyOQTBPFHOICRNOB-UHFFFAOYSA-N
XLogP1.27
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione (CID 148815490) is 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCC1=CN=CC1.
What is the InChIKey of 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione?
The InChIKey is OQTBPFHOICRNOB-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/h6,8H,1-5,7H2.
What are the key properties of 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione?
1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione has a molecular weight of 206.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-pyrrol-4-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 148815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).