2-azaspiro[5.5]undecan-11-one

C10H17NO — CID 11073800

IUPAC2-azaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCCNC2
InChIInChI=1S/C10H17NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h11H,1-8H2
InChIKeyQROPVISAWBXGKJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds

About 2-azaspiro[5.5]undecan-11-one

2-azaspiro[5.5]undecan-11-one (PubChem CID 11073800) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-11-one
PubChem CID11073800
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-azaspiro[5.5]undecan-11-one
SMILESO=C1CCCCC12CCCNC2
InChIInChI=1S/C10H17NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h11H,1-8H2
InChIKeyQROPVISAWBXGKJ-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-11-one?
The IUPAC name of 2-azaspiro[5.5]undecan-11-one (CID 11073800) is 2-azaspiro[5.5]undecan-11-one.
What is the SMILES notation for 2-azaspiro[5.5]undecan-11-one?
The canonical SMILES for 2-azaspiro[5.5]undecan-11-one is O=C1CCCCC12CCCNC2.
What is the InChIKey of 2-azaspiro[5.5]undecan-11-one?
The InChIKey is QROPVISAWBXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h11H,1-8H2.
What are the key properties of 2-azaspiro[5.5]undecan-11-one?
2-azaspiro[5.5]undecan-11-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-11-one is sourced from PubChem (CID 11073800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).