1-acetyl-1-azaspiro[5.5]undecan-10-one

C12H19NO2 — CID 14396534

IUPAC1-acetyl-1-azaspiro[5.5]undecan-10-one
SMILESCC(=O)N1CCCCC12CCCC(=O)C2
InChIInChI=1S/C12H19NO2/c1-10(14)13-8-3-2-6-12(13)7-4-5-11(15)9-12/h2-9H2,1H3
InChIKeyBCCKRDFHTSLQIB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds

About 1-acetyl-1-azaspiro[5.5]undecan-10-one

1-acetyl-1-azaspiro[5.5]undecan-10-one (PubChem CID 14396534) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-acetyl-1-azaspiro[5.5]undecan-10-one.

Molecular Properties

Compound Name1-acetyl-1-azaspiro[5.5]undecan-10-one
PubChem CID14396534
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-acetyl-1-azaspiro[5.5]undecan-10-one
SMILESCC(=O)N1CCCCC12CCCC(=O)C2
InChIInChI=1S/C12H19NO2/c1-10(14)13-8-3-2-6-12(13)7-4-5-11(15)9-12/h2-9H2,1H3
InChIKeyBCCKRDFHTSLQIB-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-1-azaspiro[5.5]undecan-10-one?
The IUPAC name of 1-acetyl-1-azaspiro[5.5]undecan-10-one (CID 14396534) is 1-acetyl-1-azaspiro[5.5]undecan-10-one.
What is the SMILES notation for 1-acetyl-1-azaspiro[5.5]undecan-10-one?
The canonical SMILES for 1-acetyl-1-azaspiro[5.5]undecan-10-one is CC(=O)N1CCCCC12CCCC(=O)C2.
What is the InChIKey of 1-acetyl-1-azaspiro[5.5]undecan-10-one?
The InChIKey is BCCKRDFHTSLQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(14)13-8-3-2-6-12(13)7-4-5-11(15)9-12/h2-9H2,1H3.
What are the key properties of 1-acetyl-1-azaspiro[5.5]undecan-10-one?
1-acetyl-1-azaspiro[5.5]undecan-10-one has a molecular weight of 209.29 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-1-azaspiro[5.5]undecan-10-one is sourced from PubChem (CID 14396534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).