2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol

C10H15NO2 — CID 123912277

IUPAC2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)CC=CC=C1/C=N/CCO
InChIInChI=1S/C10H15NO2/c1-10(13)5-3-2-4-9(10)8-11-6-7-12/h2-4,8,12-13H,5-7H2,1H3/b11-8+
InChIKeyYMYAJWBTLNQWJZ-DHZHZOJOSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds3

About 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol

2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 123912277) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID123912277
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)CC=CC=C1/C=N/CCO
InChIInChI=1S/C10H15NO2/c1-10(13)5-3-2-4-9(10)8-11-6-7-12/h2-4,8,12-13H,5-7H2,1H3/b11-8+
InChIKeyYMYAJWBTLNQWJZ-DHZHZOJOSA-N
XLogP0.69
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol (CID 123912277) is 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol is CC1(O)CC=CC=C1/C=N/CCO.
What is the InChIKey of 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is YMYAJWBTLNQWJZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(13)5-3-2-4-9(10)8-11-6-7-12/h2-4,8,12-13H,5-7H2,1H3/b11-8+.
What are the key properties of 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol?
2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyliminomethyl)-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123912277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).