(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol

C19H27NO — CID 167216874

IUPAC(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol
SMILESC/C=C(/C)N1C=C(C(/C=C\C=C\CC)=C(/C)O)C=CC1C
InChIInChI=1S/C19H27NO/c1-6-8-9-10-11-19(17(5)21)18-13-12-16(4)20(14-18)15(3)7-2/h7-14,16,21H,6H2,1-5H3/b9-8+,11-10-,15-7-,19-17-
InChIKeyHFCSQGGSNCVIFC-GOHYFSACSA-N
MW285.43 g/mol
LogP5.41
Rot. Bonds5

About (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol

(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol (PubChem CID 167216874) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol
PubChem CID167216874
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol
SMILESC/C=C(/C)N1C=C(C(/C=C\C=C\CC)=C(/C)O)C=CC1C
InChIInChI=1S/C19H27NO/c1-6-8-9-10-11-19(17(5)21)18-13-12-16(4)20(14-18)15(3)7-2/h7-14,16,21H,6H2,1-5H3/b9-8+,11-10-,15-7-,19-17-
InChIKeyHFCSQGGSNCVIFC-GOHYFSACSA-N
XLogP5.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol?
The IUPAC name of (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol (CID 167216874) is (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol.
What is the SMILES notation for (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol?
The canonical SMILES for (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol is C/C=C(/C)N1C=C(C(/C=C\C=C\CC)=C(/C)O)C=CC1C.
What is the InChIKey of (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol?
The InChIKey is HFCSQGGSNCVIFC-GOHYFSACSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-8-9-10-11-19(17(5)21)18-13-12-16(4)20(14-18)15(3)7-2/h7-14,16,21H,6H2,1-5H3/b9-8+,11-10-,15-7-,19-17-.
What are the key properties of (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol?
(2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol has a molecular weight of 285.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-3-[1-[(Z)-but-2-en-2-yl]-2-methyl-2H-pyridin-5-yl]nona-2,4,6-trien-2-ol is sourced from PubChem (CID 167216874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).