2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone

C15H24N2O — CID 13106450

IUPAC2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C15H24N2O/c18-14(16-10-4-5-11-16)17-12-6-9-15(13-17)7-2-1-3-8-15/h1-2H,3-13H2
InChIKeyRIYIZYBDGDAUQA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds

About 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone

2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 13106450) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone
PubChem CID13106450
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(N1CCCC1)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C15H24N2O/c18-14(16-10-4-5-11-16)17-12-6-9-15(13-17)7-2-1-3-8-15/h1-2H,3-13H2
InChIKeyRIYIZYBDGDAUQA-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone (CID 13106450) is 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone is O=C(N1CCCC1)N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is RIYIZYBDGDAUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-14(16-10-4-5-11-16)17-12-6-9-15(13-17)7-2-1-3-8-15/h1-2H,3-13H2.
What are the key properties of 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone?
2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undec-9-en-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 13106450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).