6-diazotridecan-7-one

C13H24N2O — CID 85353104

IUPAC6-diazotridecan-7-one
SMILESCCCCCCC(=O)C(CCCCC)=[N+]=[N-]
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-11-13(16)12(15-14)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyAYYPXRBOHLUIIS-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.78
Rot. Bonds10

About 6-diazotridecan-7-one

6-diazotridecan-7-one (PubChem CID 85353104) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-diazotridecan-7-one.

Molecular Properties

Compound Name6-diazotridecan-7-one
PubChem CID85353104
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-diazotridecan-7-one
SMILESCCCCCCC(=O)C(CCCCC)=[N+]=[N-]
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-11-13(16)12(15-14)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyAYYPXRBOHLUIIS-UHFFFAOYSA-N
XLogP3.78
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-diazononan-5-one
CID 139716409
ethyl 2-diazoundecanoate
CID 85177216
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
3-diazoheptan-2-one
CID 101114656
methyl 2-diazo-3-oxononanoate
CID 139842645
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018

Frequently Asked Questions

What is the IUPAC name of 6-diazotridecan-7-one?
The IUPAC name of 6-diazotridecan-7-one (CID 85353104) is 6-diazotridecan-7-one.
What is the SMILES notation for 6-diazotridecan-7-one?
The canonical SMILES for 6-diazotridecan-7-one is CCCCCCC(=O)C(CCCCC)=[N+]=[N-].
What is the InChIKey of 6-diazotridecan-7-one?
The InChIKey is AYYPXRBOHLUIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-7-9-11-13(16)12(15-14)10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 6-diazotridecan-7-one?
6-diazotridecan-7-one has a molecular weight of 224.35 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazotridecan-7-one is sourced from PubChem (CID 85353104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).