N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide

C13H21NO2 — CID 101439008

IUPACN,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1(C(=O)N(CC)CC)CCCC1=O
InChIInChI=1S/C13H21NO2/c1-4-9-13(10-7-8-11(13)15)12(16)14(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyJRDBBXOQAWKHEL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds5

About N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide

N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 101439008) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
PubChem CID101439008
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCC1(C(=O)N(CC)CC)CCCC1=O
InChIInChI=1S/C13H21NO2/c1-4-9-13(10-7-8-11(13)15)12(16)14(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyJRDBBXOQAWKHEL-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide (CID 101439008) is N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide is C=CCC1(C(=O)N(CC)CC)CCCC1=O.
What is the InChIKey of N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is JRDBBXOQAWKHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-9-13(10-7-8-11(13)15)12(16)14(5-2)6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide?
N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 101439008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).