ethane;6-methyl-5-azaspiro[2.4]heptan-4-one

C9H17NO — CID 178006224

IUPACethane;6-methyl-5-azaspiro[2.4]heptan-4-one
SMILESCC.CC1CC2(CC2)C(=O)N1
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)6(9)8-5;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyCHCCWQBZOKIYIQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds

About ethane;6-methyl-5-azaspiro[2.4]heptan-4-one

ethane;6-methyl-5-azaspiro[2.4]heptan-4-one (PubChem CID 178006224) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;6-methyl-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Nameethane;6-methyl-5-azaspiro[2.4]heptan-4-one
PubChem CID178006224
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;6-methyl-5-azaspiro[2.4]heptan-4-one
SMILESCC.CC1CC2(CC2)C(=O)N1
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)6(9)8-5;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyCHCCWQBZOKIYIQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of ethane;6-methyl-5-azaspiro[2.4]heptan-4-one (CID 178006224) is ethane;6-methyl-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for ethane;6-methyl-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for ethane;6-methyl-5-azaspiro[2.4]heptan-4-one is CC.CC1CC2(CC2)C(=O)N1.
What is the InChIKey of ethane;6-methyl-5-azaspiro[2.4]heptan-4-one?
The InChIKey is CHCCWQBZOKIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)6(9)8-5;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;6-methyl-5-azaspiro[2.4]heptan-4-one?
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 178006224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).