ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate

C8H11NO3 — CID 58602355

IUPACethyl N-(4-oxocyclopent-2-en-1-yl)carbamate
SMILESCCOC(=O)NC1C=CC(=O)C1
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)9-6-3-4-7(10)5-6/h3-4,6H,2,5H2,1H3,(H,9,11)
InChIKeyCYSKUYNOHZLCPM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.63
Rot. Bonds2

About ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate

ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate (PubChem CID 58602355) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-oxocyclopent-2-en-1-yl)carbamate
PubChem CID58602355
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl N-(4-oxocyclopent-2-en-1-yl)carbamate
SMILESCCOC(=O)NC1C=CC(=O)C1
InChIInChI=1S/C8H11NO3/c1-2-12-8(11)9-6-3-4-7(10)5-6/h3-4,6H,2,5H2,1H3,(H,9,11)
InChIKeyCYSKUYNOHZLCPM-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate?
The IUPAC name of ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate (CID 58602355) is ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate.
What is the SMILES notation for ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate?
The canonical SMILES for ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate is CCOC(=O)NC1C=CC(=O)C1.
What is the InChIKey of ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate?
The InChIKey is CYSKUYNOHZLCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-12-8(11)9-6-3-4-7(10)5-6/h3-4,6H,2,5H2,1H3,(H,9,11).
What are the key properties of ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate?
ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate has a molecular weight of 169.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-oxocyclopent-2-en-1-yl)carbamate is sourced from PubChem (CID 58602355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).