2-propan-2-yl-2-azaspiro[4.4]nonan-9-one

C11H19NO — CID 174179825

IUPAC2-propan-2-yl-2-azaspiro[4.4]nonan-9-one
SMILESCC(C)N1CCC2(CCCC2=O)C1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-6-11(8-12)5-3-4-10(11)13/h9H,3-8H2,1-2H3
InChIKeyBVCJFYNPAPVQBH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one

2-propan-2-yl-2-azaspiro[4.4]nonan-9-one (PubChem CID 174179825) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name2-propan-2-yl-2-azaspiro[4.4]nonan-9-one
PubChem CID174179825
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-propan-2-yl-2-azaspiro[4.4]nonan-9-one
SMILESCC(C)N1CCC2(CCCC2=O)C1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-6-11(8-12)5-3-4-10(11)13/h9H,3-8H2,1-2H3
InChIKeyBVCJFYNPAPVQBH-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one?
The IUPAC name of 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one (CID 174179825) is 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one.
What is the SMILES notation for 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one?
The canonical SMILES for 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one is CC(C)N1CCC2(CCCC2=O)C1.
What is the InChIKey of 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one?
The InChIKey is BVCJFYNPAPVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)12-7-6-11(8-12)5-3-4-10(11)13/h9H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one?
2-propan-2-yl-2-azaspiro[4.4]nonan-9-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azaspiro[4.4]nonan-9-one is sourced from PubChem (CID 174179825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).