1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid

C10H15NO3 — CID 165470054

IUPAC1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9(13)8-7-10(14-11-8)5-3-1-2-4-6-10/h1-7H2,(H,12,13)
InChIKeyQUAKXAAFISTPGU-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.94
Rot. Bonds1

About 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid

1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid (PubChem CID 165470054) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid
PubChem CID165470054
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCCCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9(13)8-7-10(14-11-8)5-3-1-2-4-6-10/h1-7H2,(H,12,13)
InChIKeyQUAKXAAFISTPGU-UHFFFAOYSA-N
XLogP1.94
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.94
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[4.6]undec-2-ene-3-carboxylic acid?
The IUPAC name of 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid (CID 165470054) is 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid.
What is the SMILES notation for 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid?
The canonical SMILES for 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCCCCC2)C1.
What is the InChIKey of 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid?
The InChIKey is QUAKXAAFISTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9(13)8-7-10(14-11-8)5-3-1-2-4-6-10/h1-7H2,(H,12,13).
What are the key properties of 1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid?
1-oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.94, 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[4.6]undec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165470054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).