6-azaspiro[3.4]oct-6-ene-2-carboxylic acid

C8H11NO2 — CID 69043389

IUPAC6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
SMILESO=C(O)C1CC2(CC=NC2)C1
InChIInChI=1S/C8H11NO2/c10-7(11)6-3-8(4-6)1-2-9-5-8/h2,6H,1,3-5H2,(H,10,11)
InChIKeyRSGOKCNCUOQNKF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.94
Rot. Bonds1

About 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid

6-azaspiro[3.4]oct-6-ene-2-carboxylic acid (PubChem CID 69043389) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
PubChem CID69043389
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name6-azaspiro[3.4]oct-6-ene-2-carboxylic acid
SMILESO=C(O)C1CC2(CC=NC2)C1
InChIInChI=1S/C8H11NO2/c10-7(11)6-3-8(4-6)1-2-9-5-8/h2,6H,1,3-5H2,(H,10,11)
InChIKeyRSGOKCNCUOQNKF-UHFFFAOYSA-N
XLogP0.94
TPSA49.66 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid?
The IUPAC name of 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid (CID 69043389) is 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid.
What is the SMILES notation for 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid?
The canonical SMILES for 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid is O=C(O)C1CC2(CC=NC2)C1.
What is the InChIKey of 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid?
The InChIKey is RSGOKCNCUOQNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7(11)6-3-8(4-6)1-2-9-5-8/h2,6H,1,3-5H2,(H,10,11).
What are the key properties of 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid?
6-azaspiro[3.4]oct-6-ene-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]oct-6-ene-2-carboxylic acid is sourced from PubChem (CID 69043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).