bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine

C8H11NO — CID 22626300

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine
SMILESCNO.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH5NO/c1-2-4-7-5-6(7)3-1;1-2-3/h1-4H,5H2;2-3H,1H3
InChIKeyBAAXEVYYQNREMS-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.19
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine

bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine (PubChem CID 22626300) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine
PubChem CID22626300
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine
SMILESCNO.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH5NO/c1-2-4-7-5-6(7)3-1;1-2-3/h1-4H,5H2;2-3H,1H3
InChIKeyBAAXEVYYQNREMS-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine (CID 22626300) is bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine is CNO.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine?
The InChIKey is BAAXEVYYQNREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.CH5NO/c1-2-4-7-5-6(7)3-1;1-2-3/h1-4H,5H2;2-3H,1H3.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine?
bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine has a molecular weight of 137.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;N-methylhydroxylamine is sourced from PubChem (CID 22626300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).