ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

C8H11NO2 — CID 10898895

IUPACethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCCOC(=O)N1C[C@@H]2C=C[C@@H]21
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-5-6-3-4-7(6)9/h3-4,6-7H,2,5H2,1H3/t6-,7-/m0/s1
InChIKeyUDGWRCOHOIXKBM-BQBZGAKWSA-N
MW153.18 g/mol
LogP1.01
Rot. Bonds1

About ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate

ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (PubChem CID 10898895) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
PubChem CID10898895
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
SMILESCCOC(=O)N1C[C@@H]2C=C[C@@H]21
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)9-5-6-3-4-7(6)9/h3-4,6-7H,2,5H2,1H3/t6-,7-/m0/s1
InChIKeyUDGWRCOHOIXKBM-BQBZGAKWSA-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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Related Compounds

methyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 11367034
Ethyl 2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 15349419
[(1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl]methyl acetate
CID 10397167
(3-Oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl)methyl propanoate
CID 15182088
tert-butyl (1S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 130337235
[(1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl]methyl propanoate
CID 10012540
[(1R,4S)-3-oxo-2-azabicyclo[2.2.0]hex-5-en-2-yl]methyl propanoate
CID 10419797
ethyl (1S,4S)-5-methyl-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10607179
ethyl (1S,3R,4S)-3,4-dimethyl-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10607491
ethyl (1S,4S)-4-methyl-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10630910
ethyl (1S,3R,4S)-3-methyl-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10797165
tert-butyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10888545

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The IUPAC name of ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate (CID 10898895) is ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate.
What is the SMILES notation for ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The canonical SMILES for ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is CCOC(=O)N1C[C@@H]2C=C[C@@H]21.
What is the InChIKey of ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
The InChIKey is UDGWRCOHOIXKBM-BQBZGAKWSA-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/t6-,7-/m0/s1.
What are the key properties of ethyl (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate?
ethyl (1S,4S)-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 (1S,4S)-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate is sourced from PubChem (CID 10898895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).