2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one

C8H10N2O — CID 12538200

IUPAC2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one
SMILESCc1cccc(NN)c(=O)c1
InChIInChI=1S/C8H10N2O/c1-6-3-2-4-7(10-9)8(11)5-6/h2-5H,9H2,1H3,(H,10,11)
InChIKeyANSDFHSFKIZDEM-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.64
Rot. Bonds1

About 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one

2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one (PubChem CID 12538200) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one
PubChem CID12538200
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one
SMILESCc1cccc(NN)c(=O)c1
InChIInChI=1S/C8H10N2O/c1-6-3-2-4-7(10-9)8(11)5-6/h2-5H,9H2,1H3,(H,10,11)
InChIKeyANSDFHSFKIZDEM-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one (CID 12538200) is 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one is Cc1cccc(NN)c(=O)c1.
What is the InChIKey of 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one?
The InChIKey is ANSDFHSFKIZDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-3-2-4-7(10-9)8(11)5-6/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one?
2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 12538200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).