methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate

C8H11NO2 — CID 21188459

IUPACmethyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate
SMILESCOC(=O)N1C2=CCC1CC2
InChIInChI=1S/C8H11NO2/c1-11-8(10)9-6-2-3-7(9)5-4-6/h2,7H,3-5H2,1H3
InChIKeyRUQNGUKMBHPRDU-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.50
Rot. Bonds

About methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate

methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate (PubChem CID 21188459) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate
PubChem CID21188459
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate
SMILESCOC(=O)N1C2=CCC1CC2
InChIInChI=1S/C8H11NO2/c1-11-8(10)9-6-2-3-7(9)5-4-6/h2,7H,3-5H2,1H3
InChIKeyRUQNGUKMBHPRDU-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate?
The IUPAC name of methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate (CID 21188459) is methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate.
What is the SMILES notation for methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate?
The canonical SMILES for methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate is COC(=O)N1C2=CCC1CC2.
What is the InChIKey of methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate?
The InChIKey is RUQNGUKMBHPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-8(10)9-6-2-3-7(9)5-4-6/h2,7H,3-5H2,1H3.
What are the key properties of methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate?
methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate is sourced from PubChem (CID 21188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).