(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine

C15H18N2O — CID 166892910

IUPAC(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C=C(\C)c1ccc(C)nc1OC
InChIInChI=1S/C15H18N2O/c1-6-14(16)11(3)9-10(2)13-8-7-12(4)17-15(13)18-5/h6-9,16H,1,3H2,2,4-5H3/b10-9+,16-14+
InChIKeySEFGMHTXDRVZQB-WAJBHNFBSA-N
MW242.32 g/mol
LogP3.56
Rot. Bonds5

About (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine

(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine (PubChem CID 166892910) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine.

Molecular Properties

Compound Name(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine
PubChem CID166892910
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C=C(\C)c1ccc(C)nc1OC
InChIInChI=1S/C15H18N2O/c1-6-14(16)11(3)9-10(2)13-8-7-12(4)17-15(13)18-5/h6-9,16H,1,3H2,2,4-5H3/b10-9+,16-14+
InChIKeySEFGMHTXDRVZQB-WAJBHNFBSA-N
XLogP3.56
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine?
The IUPAC name of (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine (CID 166892910) is (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine.
What is the SMILES notation for (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine?
The canonical SMILES for (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine is [H]/N=C(\C=C)C(=C)/C=C(\C)c1ccc(C)nc1OC.
What is the InChIKey of (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine?
The InChIKey is SEFGMHTXDRVZQB-WAJBHNFBSA-N. The full InChI is InChI=1S/C15H18N2O/c1-6-14(16)11(3)9-10(2)13-8-7-12(4)17-15(13)18-5/h6-9,16H,1,3H2,2,4-5H3/b10-9+,16-14+.
What are the key properties of (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine?
(5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine has a molecular weight of 242.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-(2-methoxy-6-methyl-3-pyridinyl)-4-methylidenehepta-1,5-dien-3-imine is sourced from PubChem (CID 166892910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).