2-cyanospiro[3.6]decane-2-carboxylic acid

C12H17NO2 — CID 65007970

IUPAC2-cyanospiro[3.6]decane-2-carboxylic acid
SMILESN#CC1(C(=O)O)CC2(CCCCCC2)C1
InChIInChI=1S/C12H17NO2/c13-9-12(10(14)15)7-11(8-12)5-3-1-2-4-6-11/h1-8H2,(H,14,15)
InChIKeyALBQJNGFBYBSMP-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.72
Rot. Bonds1

About 2-cyanospiro[3.6]decane-2-carboxylic acid

2-cyanospiro[3.6]decane-2-carboxylic acid (PubChem CID 65007970) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-cyanospiro[3.6]decane-2-carboxylic acid.

Molecular Properties

Compound Name2-cyanospiro[3.6]decane-2-carboxylic acid
PubChem CID65007970
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-cyanospiro[3.6]decane-2-carboxylic acid
SMILESN#CC1(C(=O)O)CC2(CCCCCC2)C1
InChIInChI=1S/C12H17NO2/c13-9-12(10(14)15)7-11(8-12)5-3-1-2-4-6-11/h1-8H2,(H,14,15)
InChIKeyALBQJNGFBYBSMP-UHFFFAOYSA-N
XLogP2.72
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyanospiro[3.6]decane-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 2-cyanospiro[3.6]decane-2-carboxylic acid?
The IUPAC name of 2-cyanospiro[3.6]decane-2-carboxylic acid (CID 65007970) is 2-cyanospiro[3.6]decane-2-carboxylic acid.
What is the SMILES notation for 2-cyanospiro[3.6]decane-2-carboxylic acid?
The canonical SMILES for 2-cyanospiro[3.6]decane-2-carboxylic acid is N#CC1(C(=O)O)CC2(CCCCCC2)C1.
What is the InChIKey of 2-cyanospiro[3.6]decane-2-carboxylic acid?
The InChIKey is ALBQJNGFBYBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-9-12(10(14)15)7-11(8-12)5-3-1-2-4-6-11/h1-8H2,(H,14,15).
What are the key properties of 2-cyanospiro[3.6]decane-2-carboxylic acid?
2-cyanospiro[3.6]decane-2-carboxylic acid has a molecular weight of 207.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanospiro[3.6]decane-2-carboxylic acid is sourced from PubChem (CID 65007970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).