(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine

C9H13NO — CID 89331310

IUPAC(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+
InChIKeyXJNRANQJZCGZLL-CSKARUKUSA-N
MW151.21 g/mol
LogP2.29
Rot. Bonds2

About (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine

(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine (PubChem CID 89331310) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
PubChem CID89331310
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+
InChIKeyXJNRANQJZCGZLL-CSKARUKUSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine (CID 89331310) is (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine.
What is the SMILES notation for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The canonical SMILES for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine is CO/N=C(\C)C1=CCCC=C1.
What is the InChIKey of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The InChIKey is XJNRANQJZCGZLL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+.
What are the key properties of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine has a molecular weight of 151.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine is sourced from PubChem (CID 89331310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).