3-propan-2-yl-2-azaspiro[4.5]decan-1-one

C12H21NO — CID 168986855

IUPAC3-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1CC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H21NO/c1-9(2)10-8-12(11(14)13-10)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSDFQFHQNVYXDC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds1

About 3-propan-2-yl-2-azaspiro[4.5]decan-1-one

3-propan-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 168986855) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-propan-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-propan-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID168986855
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1CC2(CCCCC2)C(=O)N1
InChIInChI=1S/C12H21NO/c1-9(2)10-8-12(11(14)13-10)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyHSDFQFHQNVYXDC-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 3-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-propan-2-yl-2-azaspiro[4.5]decan-1-one (CID 168986855) is 3-propan-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-propan-2-yl-2-azaspiro[4.5]decan-1-one is CC(C)C1CC2(CCCCC2)C(=O)N1.
What is the InChIKey of 3-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is HSDFQFHQNVYXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)10-8-12(11(14)13-10)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-propan-2-yl-2-azaspiro[4.5]decan-1-one?
3-propan-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 168986855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).