N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide

C7H7NO2 — CID 177396699

IUPACN-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide
SMILESC=C1C=CC=C/C1=[N+](\[O-])O
InChIInChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H2,(H,9,10)
InChIKeyZOSLMJHIURBENA-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.01
Rot. Bonds

About N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide

N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide (PubChem CID 177396699) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide.

Molecular Properties

Compound NameN-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide
PubChem CID177396699
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC NameN-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide
SMILESC=C1C=CC=C/C1=[N+](\[O-])O
InChIInChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H2,(H,9,10)
InChIKeyZOSLMJHIURBENA-UHFFFAOYSA-N
XLogP1.01
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide?
The IUPAC name of N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide (CID 177396699) is N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide.
What is the SMILES notation for N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide?
The canonical SMILES for N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide is C=C1C=CC=C/C1=[N+](\[O-])O.
What is the InChIKey of N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide?
The InChIKey is ZOSLMJHIURBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H2,(H,9,10).
What are the key properties of N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide?
N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide has a molecular weight of 137.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methylidenecyclohexa-2,4-dien-1-imine oxide is sourced from PubChem (CID 177396699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).