7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C11H17NO3 — CID 165470057

IUPAC7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CC(C)CC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C11H17NO3/c1-7-3-8(2)5-11(4-7)6-9(10(13)14)12-15-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyKZRZEUSDDHFQJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.04
Rot. Bonds1

About 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165470057) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165470057
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CC(C)CC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C11H17NO3/c1-7-3-8(2)5-11(4-7)6-9(10(13)14)12-15-11/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyKZRZEUSDDHFQJO-UHFFFAOYSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165470057) is 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CC1CC(C)CC2(CC(C(=O)O)=NO2)C1.
What is the InChIKey of 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is KZRZEUSDDHFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-3-8(2)5-11(4-7)6-9(10(13)14)12-15-11/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165470057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).