1,2-dimethyl-4-azaspiro[2.4]heptan-7-one

C8H13NO — CID 20774453

IUPAC1,2-dimethyl-4-azaspiro[2.4]heptan-7-one
SMILESCC1C(C)C12NCCC2=O
InChIInChI=1S/C8H13NO/c1-5-6(2)8(5)7(10)3-4-9-8/h5-6,9H,3-4H2,1-2H3
InChIKeyJLEVGWVKMLIQKF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.57
Rot. Bonds

About 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one

1,2-dimethyl-4-azaspiro[2.4]heptan-7-one (PubChem CID 20774453) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name1,2-dimethyl-4-azaspiro[2.4]heptan-7-one
PubChem CID20774453
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,2-dimethyl-4-azaspiro[2.4]heptan-7-one
SMILESCC1C(C)C12NCCC2=O
InChIInChI=1S/C8H13NO/c1-5-6(2)8(5)7(10)3-4-9-8/h5-6,9H,3-4H2,1-2H3
InChIKeyJLEVGWVKMLIQKF-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-5-propan-2-ylpyrrolidin-3-one
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1-Azaspiro[4.4]nonan-4-one
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2-Methyl-5-propan-2-ylpyrrolidin-3-one
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1-[2-Ethyl-1-(methylamino)cyclopropyl]ethanone
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CID 21080207
2-Methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998
2-Methyl-1-(pyrrolidin-2-yl)propan-1-one
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1-(Pyrrolidin-3-YL)butan-1-one
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1-(2,4,5-Trimethylpyrrolidin-2-yl)ethanone
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CID 57536259

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one?
The IUPAC name of 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one (CID 20774453) is 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one.
What is the SMILES notation for 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one?
The canonical SMILES for 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one is CC1C(C)C12NCCC2=O.
What is the InChIKey of 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one?
The InChIKey is JLEVGWVKMLIQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-6(2)8(5)7(10)3-4-9-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one?
1,2-dimethyl-4-azaspiro[2.4]heptan-7-one has a molecular weight of 139.20 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-azaspiro[2.4]heptan-7-one is sourced from PubChem (CID 20774453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).