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

C8H12N2O2 — CID 45273976

IUPAC5-acetyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(=O)N1CCCC12CNC2=O
InChIInChI=1S/C8H12N2O2/c1-6(11)10-4-2-3-8(10)5-9-7(8)12/h2-5H2,1H3,(H,9,12)
InChIKeyCMYXXTSOQLPEHD-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.50
Rot. Bonds

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

5-acetyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 45273976) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-acetyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-acetyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID45273976
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-acetyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC(=O)N1CCCC12CNC2=O
InChIInChI=1S/C8H12N2O2/c1-6(11)10-4-2-3-8(10)5-9-7(8)12/h2-5H2,1H3,(H,9,12)
InChIKeyCMYXXTSOQLPEHD-UHFFFAOYSA-N
XLogP-0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 5-acetyl-2,5-diazaspiro[3.4]octan-3-one (CID 45273976) is 5-acetyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-acetyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 5-acetyl-2,5-diazaspiro[3.4]octan-3-one is CC(=O)N1CCCC12CNC2=O.
What is the InChIKey of 5-acetyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is CMYXXTSOQLPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(11)10-4-2-3-8(10)5-9-7(8)12/h2-5H2,1H3,(H,9,12).
What are the key properties of 5-acetyl-2,5-diazaspiro[3.4]octan-3-one?
5-acetyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 168.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 45273976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).