methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C8H11NO2 — CID 98072614

IUPACmethyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESCOC(=O)C1=CC[C@@H]2CCN12
InChIInChI=1S/C8H11NO2/c1-11-8(10)7-3-2-6-4-5-9(6)7/h3,6H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyHUXTVSUYYQISRD-ZCFIWIBFSA-N
MW153.18 g/mol
LogP0.52
Rot. Bonds1

About methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 98072614) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
PubChem CID98072614
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESCOC(=O)C1=CC[C@@H]2CCN12
InChIInChI=1S/C8H11NO2/c1-11-8(10)7-3-2-6-4-5-9(6)7/h3,6H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyHUXTVSUYYQISRD-ZCFIWIBFSA-N
XLogP0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The IUPAC name of methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 98072614) is methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
What is the SMILES notation for methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The canonical SMILES for methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is COC(=O)C1=CC[C@@H]2CCN12.
What is the InChIKey of methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The InChIKey is HUXTVSUYYQISRD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-8(10)7-3-2-6-4-5-9(6)7/h3,6H,2,4-5H2,1H3/t6-/m1/s1.
What are the key properties of methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 98072614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).