5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine

C19H19N — CID 170151835

IUPAC5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine
SMILESC=C/C=C\C(=C/C=C)c1ccc(=C)ccccc(=C)n1
InChIInChI=1S/C19H19N/c1-5-7-13-18(10-6-2)19-15-14-16(3)11-8-9-12-17(4)20-19/h5-15H,1-4H2/b11-8-,12-9+,13-7-,15-14+,18-10+,20-19+
InChIKeyLFRKWFRAICBDGF-YHELKRNJSA-N
MW261.37 g/mol
LogP3.34
Rot. Bonds4

About 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine

5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine (PubChem CID 170151835) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine.

Molecular Properties

Compound Name5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine
PubChem CID170151835
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine
SMILESC=C/C=C\C(=C/C=C)c1ccc(=C)ccccc(=C)n1
InChIInChI=1S/C19H19N/c1-5-7-13-18(10-6-2)19-15-14-16(3)11-8-9-12-17(4)20-19/h5-15H,1-4H2/b11-8-,12-9+,13-7-,15-14+,18-10+,20-19+
InChIKeyLFRKWFRAICBDGF-YHELKRNJSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-6-phenyl-1,3,5-triazine
CID 134185256
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 155408042
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
1,4-dimethyl-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,5,6-triphenylbenzene;ethane;propane
CID 144768780
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 143178055
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
CID 174010632
4-[(3E)-hexa-1,3,5-trien-3-yl]-N-phenylpyrimidin-2-amine
CID 174359338
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786
[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-phenyldiazene
CID 126603537
CID 174034385
CID 174034385
2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
CID 142158229

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine?
The IUPAC name of 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine (CID 170151835) is 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine.
What is the SMILES notation for 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine?
The canonical SMILES for 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine is C=C/C=C\C(=C/C=C)c1ccc(=C)ccccc(=C)n1.
What is the InChIKey of 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine?
The InChIKey is LFRKWFRAICBDGF-YHELKRNJSA-N. The full InChI is InChI=1S/C19H19N/c1-5-7-13-18(10-6-2)19-15-14-16(3)11-8-9-12-17(4)20-19/h5-15H,1-4H2/b11-8-,12-9+,13-7-,15-14+,18-10+,20-19+.
What are the key properties of 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine?
5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine has a molecular weight of 261.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethylidene-2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]azecine is sourced from PubChem (CID 170151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).