1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one

C12H21NO — CID 166169822

IUPAC1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C12H21NO/c1-10(2)3-4-11(14)13-8-7-12(9-13)5-6-12/h10H,3-9H2,1-2H3
InChIKeyNOHLMEKVXMECGF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds3

About 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one

1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one (PubChem CID 166169822) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
PubChem CID166169822
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C12H21NO/c1-10(2)3-4-11(14)13-8-7-12(9-13)5-6-12/h10H,3-9H2,1-2H3
InChIKeyNOHLMEKVXMECGF-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one (CID 166169822) is 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC2(CC2)C1.
What is the InChIKey of 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one?
The InChIKey is NOHLMEKVXMECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)3-4-11(14)13-8-7-12(9-13)5-6-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one?
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 166169822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).