N,N-diethyl-5-oxocyclopentene-1-carboxamide

C10H15NO2 — CID 15548449

IUPACN,N-diethyl-5-oxocyclopentene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CCCC1=O
InChIInChI=1S/C10H15NO2/c1-3-11(4-2)10(13)8-6-5-7-9(8)12/h6H,3-5,7H2,1-2H3
InChIKeyVGTFLLKZOJFLND-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.14
Rot. Bonds3

About N,N-diethyl-5-oxocyclopentene-1-carboxamide

N,N-diethyl-5-oxocyclopentene-1-carboxamide (PubChem CID 15548449) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N,N-diethyl-5-oxocyclopentene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxocyclopentene-1-carboxamide
PubChem CID15548449
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN,N-diethyl-5-oxocyclopentene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CCCC1=O
InChIInChI=1S/C10H15NO2/c1-3-11(4-2)10(13)8-6-5-7-9(8)12/h6H,3-5,7H2,1-2H3
InChIKeyVGTFLLKZOJFLND-UHFFFAOYSA-N
XLogP1.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.14
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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Related Compounds

3-Butyl-1,4-dimethylpyrrole-2,5-dione
CID 101463233
Butylmaleamide, N,N,N',N'-tetraethyl-
CID 5375940
(E)-N,N,5-triethyl-3,6-dioxooct-4-enamide
CID 11230533
Piperidine, 1-[(5-oxo-1-cyclopenten-1-YL)carbonyl]-
CID 15548450
5-oxo-N,N-di(propan-2-yl)cyclopentene-1-carboxamide
CID 15548451
6-oxo-N,N-di(propan-2-yl)cyclohexene-1-carboxamide
CID 15548452
2-(Piperidine-1-carbonyl)cyclohex-2-en-1-one
CID 15548453
N,3,3-trimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548462
N-tert-butyl-3,3-dimethyl-5-oxo-N-prop-2-enylcyclopentene-1-carboxamide
CID 15548463
N-but-3-enyl-N,3,3-trimethyl-5-oxocyclopentene-1-carboxamide
CID 101055439
N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
CID 101055440
N-tert-butyl-N,3,3-trimethyl-5-oxocyclopentene-1-carboxamide
CID 101055450

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxocyclopentene-1-carboxamide?
The IUPAC name of N,N-diethyl-5-oxocyclopentene-1-carboxamide (CID 15548449) is N,N-diethyl-5-oxocyclopentene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-5-oxocyclopentene-1-carboxamide?
The canonical SMILES for N,N-diethyl-5-oxocyclopentene-1-carboxamide is CCN(CC)C(=O)C1=CCCC1=O.
What is the InChIKey of N,N-diethyl-5-oxocyclopentene-1-carboxamide?
The InChIKey is VGTFLLKZOJFLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-11(4-2)10(13)8-6-5-7-9(8)12/h6H,3-5,7H2,1-2H3.
What are the key properties of N,N-diethyl-5-oxocyclopentene-1-carboxamide?
N,N-diethyl-5-oxocyclopentene-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxocyclopentene-1-carboxamide is sourced from PubChem (CID 15548449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).