1,2-diazadispiro[2.1.55.33]tridecan-13-one

C11H18N2O — CID 118560894

IUPAC1,2-diazadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1CCC2(CCCCC2)CC12NN2
InChIInChI=1S/C11H18N2O/c14-9-4-7-10(5-2-1-3-6-10)8-11(9)12-13-11/h12-13H,1-8H2
InChIKeyWKJQICXNPCVBPS-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.49
Rot. Bonds

About 1,2-diazadispiro[2.1.55.33]tridecan-13-one

1,2-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 118560894) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,2-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name1,2-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID118560894
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,2-diazadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1CCC2(CCCCC2)CC12NN2
InChIInChI=1S/C11H18N2O/c14-9-4-7-10(5-2-1-3-6-10)8-11(9)12-13-11/h12-13H,1-8H2
InChIKeyWKJQICXNPCVBPS-UHFFFAOYSA-N
XLogP1.49
TPSA60.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 1,2-diazadispiro[2.1.55.33]tridecan-13-one (CID 118560894) is 1,2-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 1,2-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 1,2-diazadispiro[2.1.55.33]tridecan-13-one is O=C1CCC2(CCCCC2)CC12NN2.
What is the InChIKey of 1,2-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is WKJQICXNPCVBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-9-4-7-10(5-2-1-3-6-10)8-11(9)12-13-11/h12-13H,1-8H2.
What are the key properties of 1,2-diazadispiro[2.1.55.33]tridecan-13-one?
1,2-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 194.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 118560894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).