1-azadispiro[2.1.55.33]tridecan-13-one

C12H19NO — CID 135365228

IUPAC1-azadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1CCC2(CCCCC2)CC12CN2
InChIInChI=1S/C12H19NO/c14-10-4-7-11(5-2-1-3-6-11)8-12(10)9-13-12/h13H,1-9H2
InChIKeyZSKIGVCUZFTNNE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds

About 1-azadispiro[2.1.55.33]tridecan-13-one

1-azadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135365228) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-azadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name1-azadispiro[2.1.55.33]tridecan-13-one
PubChem CID135365228
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-azadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1CCC2(CCCCC2)CC12CN2
InChIInChI=1S/C12H19NO/c14-10-4-7-11(5-2-1-3-6-11)8-12(10)9-13-12/h13H,1-9H2
InChIKeyZSKIGVCUZFTNNE-UHFFFAOYSA-N
XLogP2.03
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-azadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 1-azadispiro[2.1.55.33]tridecan-13-one (CID 135365228) is 1-azadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 1-azadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 1-azadispiro[2.1.55.33]tridecan-13-one is O=C1CCC2(CCCCC2)CC12CN2.
What is the InChIKey of 1-azadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is ZSKIGVCUZFTNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-10-4-7-11(5-2-1-3-6-11)8-12(10)9-13-12/h13H,1-9H2.
What are the key properties of 1-azadispiro[2.1.55.33]tridecan-13-one?
1-azadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 193.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135365228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).