1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid

C8H11NO3 — CID 131160394

IUPAC1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCC2)C1
InChIInChI=1S/C8H11NO3/c10-7(11)6-5-8(12-9-6)3-1-2-4-8/h1-5H2,(H,10,11)
InChIKeyFUFDYHXREOZMSW-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.16
Rot. Bonds1

About 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid

1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid (PubChem CID 131160394) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
PubChem CID131160394
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCC2)C1
InChIInChI=1S/C8H11NO3/c10-7(11)6-5-8(12-9-6)3-1-2-4-8/h1-5H2,(H,10,11)
InChIKeyFUFDYHXREOZMSW-UHFFFAOYSA-N
XLogP1.16
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid?
The IUPAC name of 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid (CID 131160394) is 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid.
What is the SMILES notation for 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid?
The canonical SMILES for 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCCC2)C1.
What is the InChIKey of 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid?
The InChIKey is FUFDYHXREOZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7(11)6-5-8(12-9-6)3-1-2-4-8/h1-5H2,(H,10,11).
What are the key properties of 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid?
1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid is sourced from PubChem (CID 131160394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).