2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid

C17H22N2O2 — CID 136550533

IUPAC2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC2(CC=CCC2)C1
InChIInChI=1S/C17H22N2O2/c20-16(21)14-6-4-10-18-15(14)12-19-11-5-9-17(13-19)7-2-1-3-8-17/h1-2,4,6,10H,3,5,7-9,11-13H2,(H,20,21)
InChIKeyLGOOPVHYEYICQV-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid

2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 136550533) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid
PubChem CID136550533
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC2(CC=CCC2)C1
InChIInChI=1S/C17H22N2O2/c20-16(21)14-6-4-10-18-15(14)12-19-11-5-9-17(13-19)7-2-1-3-8-17/h1-2,4,6,10H,3,5,7-9,11-13H2,(H,20,21)
InChIKeyLGOOPVHYEYICQV-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide
CID 86952155
2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
CID 146135827
2-[(2,7-dioxoazepan-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198370
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 114198822
[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
CID 97215439
3-[[(6S)-2-azaspiro[5.5]undec-9-en-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 99808151
6-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)pyridine-2-carboxylic acid
CID 119185414
2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 136552323
2-[2-(2-azaspiro[5.5]undec-9-en-2-yl)ethoxy]ethanol
CID 111439750
9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506837
[2-[(3,3-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199075
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid (CID 136550533) is 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCCC2(CC=CCC2)C1.
What is the InChIKey of 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is LGOOPVHYEYICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(21)14-6-4-10-18-15(14)12-19-11-5-9-17(13-19)7-2-1-3-8-17/h1-2,4,6,10H,3,5,7-9,11-13H2,(H,20,21).
What are the key properties of 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid?
2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 136550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).