(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine

C15H16N2O — CID 11481862

IUPAC(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
SMILESCO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1
InChIInChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
InChIKeyCNNZLFXCUQLKOB-BMRADRMJSA-N
MW240.31 g/mol
LogP2.85
Rot. Bonds1

About (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine

(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine (PubChem CID 11481862) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
PubChem CID11481862
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine
SMILESCO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1
InChIInChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
InChIKeyCNNZLFXCUQLKOB-BMRADRMJSA-N
XLogP2.85
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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6-Methylpyridine-2-carbaldehyde oxime
CID 135441746
N-butyl-N-methyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The IUPAC name of (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine (CID 11481862) is (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine.
What is the SMILES notation for (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The canonical SMILES for (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine is CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1.
What is the InChIKey of (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
The InChIKey is CNNZLFXCUQLKOB-BMRADRMJSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+.
What are the key properties of (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine?
(E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine has a molecular weight of 240.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]cyclohex-2-en-1-imine is sourced from PubChem (CID 11481862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).