5-diazo-2-methylcyclopent-2-en-1-one

C6H6N2O — CID 23270733

IUPAC5-diazo-2-methylcyclopent-2-en-1-one
SMILESCC1=CCC(=[N+]=[N-])C1=O
InChIInChI=1S/C6H6N2O/c1-4-2-3-5(8-7)6(4)9/h2H,3H2,1H3
InChIKeyHOJNJBINOQNDBC-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.58
Rot. Bonds

About 5-diazo-2-methylcyclopent-2-en-1-one

5-diazo-2-methylcyclopent-2-en-1-one (PubChem CID 23270733) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-diazo-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-diazo-2-methylcyclopent-2-en-1-one
PubChem CID23270733
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-diazo-2-methylcyclopent-2-en-1-one
SMILESCC1=CCC(=[N+]=[N-])C1=O
InChIInChI=1S/C6H6N2O/c1-4-2-3-5(8-7)6(4)9/h2H,3H2,1H3
InChIKeyHOJNJBINOQNDBC-UHFFFAOYSA-N
XLogP0.58
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.58
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-Diazocyclohex-2-en-1-one
CID 53964219
6-Diazo-3-methylcyclohex-2-en-1-one
CID 122387370
6-Diazo-2-methyl-2-cyclohexen-1-one
CID 11535568
2-Butyl-6-diazocyclohex-2-en-1-one
CID 122385674
(E)-3-[(2Z)-2-hydrazinylidenepropyl]hex-3-en-2-one
CID 144327189

Frequently Asked Questions

What is the IUPAC name of 5-diazo-2-methylcyclopent-2-en-1-one?
The IUPAC name of 5-diazo-2-methylcyclopent-2-en-1-one (CID 23270733) is 5-diazo-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-diazo-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-diazo-2-methylcyclopent-2-en-1-one is CC1=CCC(=[N+]=[N-])C1=O.
What is the InChIKey of 5-diazo-2-methylcyclopent-2-en-1-one?
The InChIKey is HOJNJBINOQNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-4-2-3-5(8-7)6(4)9/h2H,3H2,1H3.
What are the key properties of 5-diazo-2-methylcyclopent-2-en-1-one?
5-diazo-2-methylcyclopent-2-en-1-one has a molecular weight of 122.13 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 23270733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).