5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one

C9H14N2O2 — CID 139334059

IUPAC5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(=O)N1CCCC12CN(C)C2=O
InChIInChI=1S/C9H14N2O2/c1-7(12)11-5-3-4-9(11)6-10(2)8(9)13/h3-6H2,1-2H3
InChIKeyWKWYAWCLUDYDSA-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.16
Rot. Bonds

About 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one

5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 139334059) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID139334059
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(=O)N1CCCC12CN(C)C2=O
InChIInChI=1S/C9H14N2O2/c1-7(12)11-5-3-4-9(11)6-10(2)8(9)13/h3-6H2,1-2H3
InChIKeyWKWYAWCLUDYDSA-UHFFFAOYSA-N
XLogP-0.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one (CID 139334059) is 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one is CC(=O)N1CCCC12CN(C)C2=O.
What is the InChIKey of 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is WKWYAWCLUDYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(12)11-5-3-4-9(11)6-10(2)8(9)13/h3-6H2,1-2H3.
What are the key properties of 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one?
5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 182.22 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 139334059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).