1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one

C12H21NO — CID 66108752

IUPAC1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCC2
InChIInChI=1S/C12H21NO/c1-9(2)7-10-12(5-3-4-6-12)8-11(14)13-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGRTYBTPNQIXWAS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one

1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one (PubChem CID 66108752) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
PubChem CID66108752
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one
SMILESCC(C)CC1NC(=O)CC12CCCC2
InChIInChI=1S/C12H21NO/c1-9(2)7-10-12(5-3-4-6-12)8-11(14)13-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGRTYBTPNQIXWAS-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one (CID 66108752) is 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one is CC(C)CC1NC(=O)CC12CCCC2.
What is the InChIKey of 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one?
The InChIKey is GRTYBTPNQIXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)7-10-12(5-3-4-6-12)8-11(14)13-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one?
1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 66108752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).