N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine

C7H7NO — CID 556077

IUPACN-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine
SMILESON=c1cccccc1
InChIInChI=1S/C7H7NO/c9-8-7-5-3-1-2-4-6-7/h1-6,9H
InChIKeyMCXBQLUQBVCAIK-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.98
Rot. Bonds

About N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine

N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine (PubChem CID 556077) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine.

Molecular Properties

Compound NameN-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine
PubChem CID556077
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC NameN-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine
SMILESON=c1cccccc1
InChIInChI=1S/C7H7NO/c9-8-7-5-3-1-2-4-6-7/h1-6,9H
InChIKeyMCXBQLUQBVCAIK-UHFFFAOYSA-N
XLogP0.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', '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 N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine?
The IUPAC name of N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine (CID 556077) is N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine.
What is the SMILES notation for N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine?
The canonical SMILES for N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine is ON=c1cccccc1.
What is the InChIKey of N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine?
The InChIKey is MCXBQLUQBVCAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c9-8-7-5-3-1-2-4-6-7/h1-6,9H.
What are the key properties of N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine?
N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine has a molecular weight of 121.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-2,4,6-trien-1-ylidenehydroxylamine is sourced from PubChem (CID 556077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).