di(cyclohexa-2,4-dien-1-yloxy)methanimine

C13H15NO2 — CID 163641188

IUPACdi(cyclohexa-2,4-dien-1-yloxy)methanimine
SMILES[H]N=C(OC1C=CC=CC1)OC1C=CC=CC1
InChIInChI=1S/C13H15NO2/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-7,9,11-12,14H,8,10H2
InChIKeyIEJPFMQEAXSIAD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.72
Rot. Bonds2

About di(cyclohexa-2,4-dien-1-yloxy)methanimine

di(cyclohexa-2,4-dien-1-yloxy)methanimine (PubChem CID 163641188) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is di(cyclohexa-2,4-dien-1-yloxy)methanimine.

Molecular Properties

Compound Namedi(cyclohexa-2,4-dien-1-yloxy)methanimine
PubChem CID163641188
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namedi(cyclohexa-2,4-dien-1-yloxy)methanimine
SMILES[H]N=C(OC1C=CC=CC1)OC1C=CC=CC1
InChIInChI=1S/C13H15NO2/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-7,9,11-12,14H,8,10H2
InChIKeyIEJPFMQEAXSIAD-UHFFFAOYSA-N
XLogP2.72
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.72
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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Related Compounds

Dicyclohexa-2,4-dien-1-yl carbonate
CID 102172951
Cyclohexa-2,4-dien-1-yloxymethanimidate
CID 163858529

Frequently Asked Questions

What is the IUPAC name of di(cyclohexa-2,4-dien-1-yloxy)methanimine?
The IUPAC name of di(cyclohexa-2,4-dien-1-yloxy)methanimine (CID 163641188) is di(cyclohexa-2,4-dien-1-yloxy)methanimine.
What is the SMILES notation for di(cyclohexa-2,4-dien-1-yloxy)methanimine?
The canonical SMILES for di(cyclohexa-2,4-dien-1-yloxy)methanimine is [H]N=C(OC1C=CC=CC1)OC1C=CC=CC1.
What is the InChIKey of di(cyclohexa-2,4-dien-1-yloxy)methanimine?
The InChIKey is IEJPFMQEAXSIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-7,9,11-12,14H,8,10H2.
What are the key properties of di(cyclohexa-2,4-dien-1-yloxy)methanimine?
di(cyclohexa-2,4-dien-1-yloxy)methanimine has a molecular weight of 217.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexa-2,4-dien-1-yloxy)methanimine is sourced from PubChem (CID 163641188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).