N-hydroxycyclohexa-2,4-dien-1-imine oxide

C6H7NO2 — CID 88710599

IUPACN-hydroxycyclohexa-2,4-dien-1-imine oxide
SMILES[O-][N+](O)=C1C=CC=CC1
InChIInChI=1S/C6H7NO2/c8-7(9)6-4-2-1-3-5-6/h1-4H,5H2,(H,8,9)
InChIKeySUMLKKVEJDVDGI-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.84
Rot. Bonds

About N-hydroxycyclohexa-2,4-dien-1-imine oxide

N-hydroxycyclohexa-2,4-dien-1-imine oxide (PubChem CID 88710599) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is N-hydroxycyclohexa-2,4-dien-1-imine oxide.

Molecular Properties

Compound NameN-hydroxycyclohexa-2,4-dien-1-imine oxide
PubChem CID88710599
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC NameN-hydroxycyclohexa-2,4-dien-1-imine oxide
SMILES[O-][N+](O)=C1C=CC=CC1
InChIInChI=1S/C6H7NO2/c8-7(9)6-4-2-1-3-5-6/h1-4H,5H2,(H,8,9)
InChIKeySUMLKKVEJDVDGI-UHFFFAOYSA-N
XLogP0.84
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.84
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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Related Compounds

N-(5,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208509
N-(5-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208658
N-(4,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208768
N-(2,6-difluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208848
N-(2-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208879
N-(6-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 173208929
5-Methylene-6-aci-nitrocyclohexa-1,3-diene
CID 101121960
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 155936514
N-(3-fluorocyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 174397271
(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
CID 10080568
(NZ)-N-cyclohexa-2,4-dien-1-ylidenehydroxylamine
CID 18611210
(6E)-6-ethylidene-N-hydroxycyclohexa-2,4-dien-1-imine oxide
CID 57529469

Frequently Asked Questions

What is the IUPAC name of N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The IUPAC name of N-hydroxycyclohexa-2,4-dien-1-imine oxide (CID 88710599) is N-hydroxycyclohexa-2,4-dien-1-imine oxide.
What is the SMILES notation for N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The canonical SMILES for N-hydroxycyclohexa-2,4-dien-1-imine oxide is [O-][N+](O)=C1C=CC=CC1.
What is the InChIKey of N-hydroxycyclohexa-2,4-dien-1-imine oxide?
The InChIKey is SUMLKKVEJDVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-7(9)6-4-2-1-3-5-6/h1-4H,5H2,(H,8,9).
What are the key properties of N-hydroxycyclohexa-2,4-dien-1-imine oxide?
N-hydroxycyclohexa-2,4-dien-1-imine oxide has a molecular weight of 125.13 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxycyclohexa-2,4-dien-1-imine oxide is sourced from PubChem (CID 88710599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).