methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium

C13H19N2O2+ — CID 142946546

IUPACmethanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium
SMILESC=C(/C=C\C([NH3+])=C/C)n1ccccc1=O.CO
InChIInChI=1S/C12H14N2O.CH4O/c1-3-11(13)8-7-10(2)14-9-5-4-6-12(14)15;1-2/h3-9H,2,13H2,1H3;2H,1H3/p+1/b8-7-,11-3+;
InChIKeyQCXAPYDYNFSZOP-AYMIGLINSA-O
MW235.31 g/mol
LogP0.63
Rot. Bonds3

About methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium

methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium (PubChem CID 142946546) has the molecular formula C13H19N2O2+ and a molecular weight of 235.31 g/mol. Its IUPAC name is methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium.

Molecular Properties

Compound Namemethanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium
PubChem CID142946546
Molecular FormulaC13H19N2O2+
Molecular Weight235.31 g/mol
Exact Mass235.14
IUPAC Namemethanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium
SMILESC=C(/C=C\C([NH3+])=C/C)n1ccccc1=O.CO
InChIInChI=1S/C12H14N2O.CH4O/c1-3-11(13)8-7-10(2)14-9-5-4-6-12(14)15;1-2/h3-9H,2,13H2,1H3;2H,1H3/p+1/b8-7-,11-3+;
InChIKeyQCXAPYDYNFSZOP-AYMIGLINSA-O
XLogP0.63
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium?
The IUPAC name of methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium (CID 142946546) is methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium.
What is the SMILES notation for methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium?
The canonical SMILES for methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium is C=C(/C=C\C([NH3+])=C/C)n1ccccc1=O.CO.
What is the InChIKey of methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium?
The InChIKey is QCXAPYDYNFSZOP-AYMIGLINSA-O. The full InChI is InChI=1S/C12H14N2O.CH4O/c1-3-11(13)8-7-10(2)14-9-5-4-6-12(14)15;1-2/h3-9H,2,13H2,1H3;2H,1H3/p+1/b8-7-,11-3+;.
What are the key properties of methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium?
methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium has a molecular weight of 235.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[(2E,4Z)-6-(2-oxo-1-pyridinyl)hepta-2,4,6-trien-3-yl]azanium is sourced from PubChem (CID 142946546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).