1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid

C8H11NO2 — CID 18957113

IUPAC1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid
SMILESO=C(O)C1=CC2CCN(C1)C2
InChIInChI=1S/C8H11NO2/c10-8(11)7-3-6-1-2-9(4-6)5-7/h3,6H,1-2,4-5H2,(H,10,11)
InChIKeyIVAPQKCBHSFPKG-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.33
Rot. Bonds1

About 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid

1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid (PubChem CID 18957113) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid
PubChem CID18957113
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid
SMILESO=C(O)C1=CC2CCN(C1)C2
InChIInChI=1S/C8H11NO2/c10-8(11)7-3-6-1-2-9(4-6)5-7/h3,6H,1-2,4-5H2,(H,10,11)
InChIKeyIVAPQKCBHSFPKG-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid?
The IUPAC name of 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid (CID 18957113) is 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid?
The canonical SMILES for 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid is O=C(O)C1=CC2CCN(C1)C2.
What is the InChIKey of 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid?
The InChIKey is IVAPQKCBHSFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)7-3-6-1-2-9(4-6)5-7/h3,6H,1-2,4-5H2,(H,10,11).
What are the key properties of 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid?
1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]oct-3-ene-3-carboxylic acid is sourced from PubChem (CID 18957113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).