2-(piperidine-1-carbonyl)cyclopent-2-en-1-one

C11H15NO2 — CID 15548450

IUPAC2-(piperidine-1-carbonyl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1C(=O)N1CCCCC1
InChIInChI=1S/C11H15NO2/c13-10-6-4-5-9(10)11(14)12-7-2-1-3-8-12/h5H,1-4,6-8H2
InChIKeyDKDJYQYHWGMGPA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds1

About 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one

2-(piperidine-1-carbonyl)cyclopent-2-en-1-one (PubChem CID 15548450) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)cyclopent-2-en-1-one
PubChem CID15548450
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(piperidine-1-carbonyl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1C(=O)N1CCCCC1
InChIInChI=1S/C11H15NO2/c13-10-6-4-5-9(10)11(14)12-7-2-1-3-8-12/h5H,1-4,6-8H2
InChIKeyDKDJYQYHWGMGPA-UHFFFAOYSA-N
XLogP1.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one (CID 15548450) is 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one is O=C1CCC=C1C(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one?
The InChIKey is DKDJYQYHWGMGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-6-4-5-9(10)11(14)12-7-2-1-3-8-12/h5H,1-4,6-8H2.
What are the key properties of 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one?
2-(piperidine-1-carbonyl)cyclopent-2-en-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)cyclopent-2-en-1-one is sourced from PubChem (CID 15548450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).