9-azadispiro[2.1.25.33]decan-4-one

C9H13NO — CID 69166169

IUPAC9-azadispiro[2.1.25.33]decan-4-one
SMILESO=C1C2(CC2)CNCC12CC2
InChIInChI=1S/C9H13NO/c11-7-8(1-2-8)5-10-6-9(7)3-4-9/h10H,1-6H2
InChIKeyZKELEUFILGZYPR-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.72
Rot. Bonds

About 9-azadispiro[2.1.25.33]decan-4-one

9-azadispiro[2.1.25.33]decan-4-one (PubChem CID 69166169) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 9-azadispiro[2.1.25.33]decan-4-one.

Molecular Properties

Compound Name9-azadispiro[2.1.25.33]decan-4-one
PubChem CID69166169
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name9-azadispiro[2.1.25.33]decan-4-one
SMILESO=C1C2(CC2)CNCC12CC2
InChIInChI=1S/C9H13NO/c11-7-8(1-2-8)5-10-6-9(7)3-4-9/h10H,1-6H2
InChIKeyZKELEUFILGZYPR-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-azadispiro[2.1.25.33]decan-4-one?
The IUPAC name of 9-azadispiro[2.1.25.33]decan-4-one (CID 69166169) is 9-azadispiro[2.1.25.33]decan-4-one.
What is the SMILES notation for 9-azadispiro[2.1.25.33]decan-4-one?
The canonical SMILES for 9-azadispiro[2.1.25.33]decan-4-one is O=C1C2(CC2)CNCC12CC2.
What is the InChIKey of 9-azadispiro[2.1.25.33]decan-4-one?
The InChIKey is ZKELEUFILGZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-7-8(1-2-8)5-10-6-9(7)3-4-9/h10H,1-6H2.
What are the key properties of 9-azadispiro[2.1.25.33]decan-4-one?
9-azadispiro[2.1.25.33]decan-4-one has a molecular weight of 151.21 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azadispiro[2.1.25.33]decan-4-one is sourced from PubChem (CID 69166169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).