(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol

C21H24N2O2 — CID 89172617

IUPAC(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol
SMILESC=CC1=C(C=C)C(O)/C(=C/C2=C/C(O)/C=C/C=C\C=C\N2)C(C=C)N1
InChIInChI=1S/C21H24N2O2/c1-4-17-19(5-2)23-20(6-3)18(21(17)25)14-15-13-16(24)11-9-7-8-10-12-22-15/h4-14,16,20-25H,1-3H2/b8-7-,11-9+,12-10+,15-13-,18-14+
InChIKeyXEOCICRJBBNRLT-BETIOIBTSA-N
MW336.44 g/mol
LogP2.53
Rot. Bonds4

About (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol

(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol (PubChem CID 89172617) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol.

Molecular Properties

Compound Name(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol
PubChem CID89172617
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol
SMILESC=CC1=C(C=C)C(O)/C(=C/C2=C/C(O)/C=C/C=C\C=C\N2)C(C=C)N1
InChIInChI=1S/C21H24N2O2/c1-4-17-19(5-2)23-20(6-3)18(21(17)25)14-15-13-16(24)11-9-7-8-10-12-22-15/h4-14,16,20-25H,1-3H2/b8-7-,11-9+,12-10+,15-13-,18-14+
InChIKeyXEOCICRJBBNRLT-BETIOIBTSA-N
XLogP2.53
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol?
The IUPAC name of (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol (CID 89172617) is (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol.
What is the SMILES notation for (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol?
The canonical SMILES for (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol is C=CC1=C(C=C)C(O)/C(=C/C2=C/C(O)/C=C/C=C\C=C\N2)C(C=C)N1.
What is the InChIKey of (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol?
The InChIKey is XEOCICRJBBNRLT-BETIOIBTSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-17-19(5-2)23-20(6-3)18(21(17)25)14-15-13-16(24)11-9-7-8-10-12-22-15/h4-14,16,20-25H,1-3H2/b8-7-,11-9+,12-10+,15-13-,18-14+.
What are the key properties of (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol?
(2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol has a molecular weight of 336.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,7Z,9E)-2-[(E)-[2,5,6-tris(ethenyl)-4-hydroxy-2,4-dihydro-1H-pyridin-3-ylidene]methyl]-1,4-dihydroazecin-4-ol is sourced from PubChem (CID 89172617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).