1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

C8H14N2O — CID 89224830

IUPAC1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCC(=O)N1CC2(CN(C)C2)C1
InChIInChI=1S/C8H14N2O/c1-7(11)10-5-8(6-10)3-9(2)4-8/h3-6H2,1-2H3
InChIKeyIRFUVSZOFXRHFZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.22
Rot. Bonds

About 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone

1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 89224830) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
PubChem CID89224830
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
SMILESCC(=O)N1CC2(CN(C)C2)C1
InChIInChI=1S/C8H14N2O/c1-7(11)10-5-8(6-10)3-9(2)4-8/h3-6H2,1-2H3
InChIKeyIRFUVSZOFXRHFZ-UHFFFAOYSA-N
XLogP-0.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone (CID 89224830) is 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is CC(=O)N1CC2(CN(C)C2)C1.
What is the InChIKey of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is IRFUVSZOFXRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11)10-5-8(6-10)3-9(2)4-8/h3-6H2,1-2H3.
What are the key properties of 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone?
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 89224830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).