ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

C8H11NO2 — CID 15349419

IUPACethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCCOC(=O)N1CC2C=CC21
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-5-6-3-4-7(6)9/h3-4,6-7H,2,5H2,1H3
InChIKeyUDGWRCOHOIXKBM-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.01
Rot. Bonds1

About ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (PubChem CID 15349419) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
PubChem CID15349419
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCCOC(=O)N1CC2C=CC21
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-5-6-3-4-7(6)9/h3-4,6-7H,2,5H2,1H3
InChIKeyUDGWRCOHOIXKBM-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The IUPAC name of ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (CID 15349419) is ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.
What is the SMILES notation for ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The canonical SMILES for ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is CCOC(=O)N1CC2C=CC21.
What is the InChIKey of ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The InChIKey is UDGWRCOHOIXKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)9-5-6-3-4-7(6)9/h3-4,6-7H,2,5H2,1H3.
What are the key properties of ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is sourced from PubChem (CID 15349419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).