9-acetyl-2,9-diazaspiro[4.5]decan-1-one

C10H16N2O2 — CID 134243451

IUPAC9-acetyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCCC2(CCNC2=O)C1
InChIInChI=1S/C10H16N2O2/c1-8(13)12-6-2-3-10(7-12)4-5-11-9(10)14/h2-7H2,1H3,(H,11,14)
InChIKeyYSJRPJLPVAUOPP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.14
Rot. Bonds

About 9-acetyl-2,9-diazaspiro[4.5]decan-1-one

9-acetyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 134243451) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9-acetyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-acetyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID134243451
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name9-acetyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCCC2(CCNC2=O)C1
InChIInChI=1S/C10H16N2O2/c1-8(13)12-6-2-3-10(7-12)4-5-11-9(10)14/h2-7H2,1H3,(H,11,14)
InChIKeyYSJRPJLPVAUOPP-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-acetyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-acetyl-2,9-diazaspiro[4.5]decan-1-one (CID 134243451) is 9-acetyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-acetyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-acetyl-2,9-diazaspiro[4.5]decan-1-one is CC(=O)N1CCCC2(CCNC2=O)C1.
What is the InChIKey of 9-acetyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YSJRPJLPVAUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(13)12-6-2-3-10(7-12)4-5-11-9(10)14/h2-7H2,1H3,(H,11,14).
What are the key properties of 9-acetyl-2,9-diazaspiro[4.5]decan-1-one?
9-acetyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 196.25 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 134243451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).