2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone

C16H27NO — CID 54586815

IUPAC2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H27NO/c18-15(14-7-2-3-8-14)17-12-6-11-16(13-17)9-4-1-5-10-16/h14H,1-13H2
InChIKeyFLHMDOLVDVKPGZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds1

About 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone

2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone (PubChem CID 54586815) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone
PubChem CID54586815
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone
SMILESO=C(C1CCCC1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C16H27NO/c18-15(14-7-2-3-8-14)17-12-6-11-16(13-17)9-4-1-5-10-16/h14H,1-13H2
InChIKeyFLHMDOLVDVKPGZ-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone 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-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone (CID 54586815) is 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone is O=C(C1CCCC1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone?
The InChIKey is FLHMDOLVDVKPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-15(14-7-2-3-8-14)17-12-6-11-16(13-17)9-4-1-5-10-16/h14H,1-13H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone?
2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone has a molecular weight of 249.40 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-2-yl(cyclopentyl)methanone is sourced from PubChem (CID 54586815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).