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

C11H14N2O2 — CID 147162262

IUPAC1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC1=NC=CC1
InChIInChI=1S/C11H14N2O2/c14-10-4-1-5-11(15)13(10)8-6-9-3-2-7-12-9/h2,7H,1,3-6,8H2
InChIKeyBWBLZEYSEKNZLU-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds3

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

1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 147162262) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione
PubChem CID147162262
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC1=NC=CC1
InChIInChI=1S/C11H14N2O2/c14-10-4-1-5-11(15)13(10)8-6-9-3-2-7-12-9/h2,7H,1,3-6,8H2
InChIKeyBWBLZEYSEKNZLU-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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Related Compounds

N,N-diethyl-3,4-dihydropyridine-2-carboxamide
CID 58752925
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
CID 91507600
1-[5-(Methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 123984374
1-[3-(3H-pyrrol-5-yl)propyl]piperidine-2,6-dione
CID 148255438
1-[(Z)-5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 154469851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione (CID 147162262) is 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCC1=NC=CC1.
What is the InChIKey of 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is BWBLZEYSEKNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-4-1-5-11(15)13(10)8-6-9-3-2-7-12-9/h2,7H,1,3-6,8H2.
What are the key properties of 1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione?
1-[2-(3H-pyrrol-2-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-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 147162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).