2-butyl-6-diazocyclohex-2-en-1-one

C10H14N2O — CID 122385674

IUPAC2-butyl-6-diazocyclohex-2-en-1-one
SMILESCCCCC1=CCCC(=[N+]=[N-])C1=O
InChIInChI=1S/C10H14N2O/c1-2-3-5-8-6-4-7-9(12-11)10(8)13/h6H,2-5,7H2,1H3
InChIKeyZDEAXEUIKWYFJI-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.14
Rot. Bonds3

About 2-butyl-6-diazocyclohex-2-en-1-one

2-butyl-6-diazocyclohex-2-en-1-one (PubChem CID 122385674) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-butyl-6-diazocyclohex-2-en-1-one.

Molecular Properties

Compound Name2-butyl-6-diazocyclohex-2-en-1-one
PubChem CID122385674
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-butyl-6-diazocyclohex-2-en-1-one
SMILESCCCCC1=CCCC(=[N+]=[N-])C1=O
InChIInChI=1S/C10H14N2O/c1-2-3-5-8-6-4-7-9(12-11)10(8)13/h6H,2-5,7H2,1H3
InChIKeyZDEAXEUIKWYFJI-UHFFFAOYSA-N
XLogP2.14
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.14
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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-Diazo-3-methylcyclohex-2-en-1-one
CID 122387370
6-Diazo-2-methyl-2-cyclohexen-1-one
CID 11535568
6-Diazo-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 102189710
5-Diazo-2-methylcyclopent-2-en-1-one
CID 23270733
4,5-Diimino-3-methylcyclohex-2-en-1-one
CID 56990817
4,6-Diimino-3-methylcyclohex-2-en-1-one
CID 57285675
2-Diazo-4-ethylcyclohex-3-en-1-one
CID 58241638
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
2-Diazo-3,5-dihydronaphthalen-1-one;propane
CID 91473845
m-Diazoacetophenone
CID 137208588
5-diazo-3H-naphthalene-1,2-dione
CID 141053386

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-diazocyclohex-2-en-1-one?
The IUPAC name of 2-butyl-6-diazocyclohex-2-en-1-one (CID 122385674) is 2-butyl-6-diazocyclohex-2-en-1-one.
What is the SMILES notation for 2-butyl-6-diazocyclohex-2-en-1-one?
The canonical SMILES for 2-butyl-6-diazocyclohex-2-en-1-one is CCCCC1=CCCC(=[N+]=[N-])C1=O.
What is the InChIKey of 2-butyl-6-diazocyclohex-2-en-1-one?
The InChIKey is ZDEAXEUIKWYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-5-8-6-4-7-9(12-11)10(8)13/h6H,2-5,7H2,1H3.
What are the key properties of 2-butyl-6-diazocyclohex-2-en-1-one?
2-butyl-6-diazocyclohex-2-en-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-diazocyclohex-2-en-1-one is sourced from PubChem (CID 122385674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).