cyclohexa-2,4-dien-1-yloxymethanimidate

C7H8NO2- — CID 163858529

IUPACcyclohexa-2,4-dien-1-yloxymethanimidate
SMILES[H]/N=C(\[O-])OC1C=CC=CC1
InChIInChI=1S/C7H9NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/p-1
InChIKeyPAMTYOOTJDNOPC-UHFFFAOYSA-M
MW138.15 g/mol
LogP0.18
Rot. Bonds1

About cyclohexa-2,4-dien-1-yloxymethanimidate

cyclohexa-2,4-dien-1-yloxymethanimidate (PubChem CID 163858529) has the molecular formula C7H8NO2- and a molecular weight of 138.15 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yloxymethanimidate.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yloxymethanimidate
PubChem CID163858529
Molecular FormulaC7H8NO2-
Molecular Weight138.15 g/mol
Exact Mass138.06
IUPAC Namecyclohexa-2,4-dien-1-yloxymethanimidate
SMILES[H]/N=C(\[O-])OC1C=CC=CC1
InChIInChI=1S/C7H9NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/p-1
InChIKeyPAMTYOOTJDNOPC-UHFFFAOYSA-M
XLogP0.18
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yloxymethanimidate?
The IUPAC name of cyclohexa-2,4-dien-1-yloxymethanimidate (CID 163858529) is cyclohexa-2,4-dien-1-yloxymethanimidate.
What is the SMILES notation for cyclohexa-2,4-dien-1-yloxymethanimidate?
The canonical SMILES for cyclohexa-2,4-dien-1-yloxymethanimidate is [H]/N=C(\[O-])OC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-yloxymethanimidate?
The InChIKey is PAMTYOOTJDNOPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/p-1.
What are the key properties of cyclohexa-2,4-dien-1-yloxymethanimidate?
cyclohexa-2,4-dien-1-yloxymethanimidate has a molecular weight of 138.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yloxymethanimidate is sourced from PubChem (CID 163858529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).