4-methanimidoylcyclohexa-2,4-dien-1-ol

C7H9NO — CID 143193805

IUPAC4-methanimidoylcyclohexa-2,4-dien-1-ol
SMILES[H]/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-3,5,7-9H,4H2/b8-5+
InChIKeyJAQYQSBQVUEWBF-VMPITWQZSA-N
MW123.15 g/mol
LogP0.88
Rot. Bonds1

About 4-methanimidoylcyclohexa-2,4-dien-1-ol

4-methanimidoylcyclohexa-2,4-dien-1-ol (PubChem CID 143193805) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-methanimidoylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-methanimidoylcyclohexa-2,4-dien-1-ol
PubChem CID143193805
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-methanimidoylcyclohexa-2,4-dien-1-ol
SMILES[H]/N=C/C1=CCC(O)C=C1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-3,5,7-9H,4H2/b8-5+
InChIKeyJAQYQSBQVUEWBF-VMPITWQZSA-N
XLogP0.88
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-methanimidoylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-methanimidoylcyclohexa-2,4-dien-1-ol (CID 143193805) is 4-methanimidoylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-methanimidoylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-methanimidoylcyclohexa-2,4-dien-1-ol is [H]/N=C/C1=CCC(O)C=C1.
What is the InChIKey of 4-methanimidoylcyclohexa-2,4-dien-1-ol?
The InChIKey is JAQYQSBQVUEWBF-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-3,5,7-9H,4H2/b8-5+.
What are the key properties of 4-methanimidoylcyclohexa-2,4-dien-1-ol?
4-methanimidoylcyclohexa-2,4-dien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 143193805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).