(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde

C7H8N2O2 — CID 143199497

IUPAC(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde
SMILESNO/N=C1\CC=CC=C1C=O
InChIInChI=1S/C7H8N2O2/c8-11-9-7-4-2-1-3-6(7)5-10/h1-3,5H,4,8H2/b9-7+
InChIKeyTYIBRCDOCYWJON-VQHVLOKHSA-N
MW152.15 g/mol
LogP0.32
Rot. Bonds2

About (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde

(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 143199497) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde
PubChem CID143199497
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde
SMILESNO/N=C1\CC=CC=C1C=O
InChIInChI=1S/C7H8N2O2/c8-11-9-7-4-2-1-3-6(7)5-10/h1-3,5H,4,8H2/b9-7+
InChIKeyTYIBRCDOCYWJON-VQHVLOKHSA-N
XLogP0.32
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde (CID 143199497) is (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde is NO/N=C1\CC=CC=C1C=O.
What is the InChIKey of (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is TYIBRCDOCYWJON-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-11-9-7-4-2-1-3-6(7)5-10/h1-3,5H,4,8H2/b9-7+.
What are the key properties of (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde?
(6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-aminooxyiminocyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 143199497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).