6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid

C11H15NO3 — CID 166405851

IUPAC6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESC=CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h2,8H,1,3-7H2,(H,14,15)
InChIKeyYMDDLTYYBUUFPY-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.89
Rot. Bonds2

About 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid

6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 166405851) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID166405851
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESC=CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h2,8H,1,3-7H2,(H,14,15)
InChIKeyYMDDLTYYBUUFPY-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 166405851) is 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid is C=CC(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is YMDDLTYYBUUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h2,8H,1,3-7H2,(H,14,15).
What are the key properties of 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 166405851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).