1-ethenyl-2-oxocyclopentane-1-carboxamide

C8H11NO2 — CID 70395621

IUPAC1-ethenyl-2-oxocyclopentane-1-carboxamide
SMILESC=CC1(C(N)=O)CCCC1=O
InChIInChI=1S/C8H11NO2/c1-2-8(7(9)11)5-3-4-6(8)10/h2H,1,3-5H2,(H2,9,11)
InChIKeyUHEKOTBEMNZQMR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.40
Rot. Bonds2

About 1-ethenyl-2-oxocyclopentane-1-carboxamide

1-ethenyl-2-oxocyclopentane-1-carboxamide (PubChem CID 70395621) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-ethenyl-2-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethenyl-2-oxocyclopentane-1-carboxamide
PubChem CID70395621
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-ethenyl-2-oxocyclopentane-1-carboxamide
SMILESC=CC1(C(N)=O)CCCC1=O
InChIInChI=1S/C8H11NO2/c1-2-8(7(9)11)5-3-4-6(8)10/h2H,1,3-5H2,(H2,9,11)
InChIKeyUHEKOTBEMNZQMR-UHFFFAOYSA-N
XLogP0.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-oxocyclopentane-1-carboxamide?
The IUPAC name of 1-ethenyl-2-oxocyclopentane-1-carboxamide (CID 70395621) is 1-ethenyl-2-oxocyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethenyl-2-oxocyclopentane-1-carboxamide?
The canonical SMILES for 1-ethenyl-2-oxocyclopentane-1-carboxamide is C=CC1(C(N)=O)CCCC1=O.
What is the InChIKey of 1-ethenyl-2-oxocyclopentane-1-carboxamide?
The InChIKey is UHEKOTBEMNZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(7(9)11)5-3-4-6(8)10/h2H,1,3-5H2,(H2,9,11).
What are the key properties of 1-ethenyl-2-oxocyclopentane-1-carboxamide?
1-ethenyl-2-oxocyclopentane-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 70395621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).