6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine

C19H21N — CID 145064305

IUPAC6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine
SMILESC=C/C(=C\C=C/C)c1cccc(C2=CC(C)=CCN2)c1
InChIInChI=1S/C19H21N/c1-4-6-8-16(5-2)17-9-7-10-18(14-17)19-13-15(3)11-12-20-19/h4-11,13-14,20H,2,12H2,1,3H3/b6-4-,16-8+
InChIKeyDXDGXMHYUMXARB-MZENOTDRSA-N
MW263.38 g/mol
LogP4.72
Rot. Bonds4

About 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine

6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine (PubChem CID 145064305) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine
PubChem CID145064305
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine
SMILESC=C/C(=C\C=C/C)c1cccc(C2=CC(C)=CCN2)c1
InChIInChI=1S/C19H21N/c1-4-6-8-16(5-2)17-9-7-10-18(14-17)19-13-15(3)11-12-20-19/h4-11,13-14,20H,2,12H2,1,3H3/b6-4-,16-8+
InChIKeyDXDGXMHYUMXARB-MZENOTDRSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine?
The IUPAC name of 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine (CID 145064305) is 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine is C=C/C(=C\C=C/C)c1cccc(C2=CC(C)=CCN2)c1.
What is the InChIKey of 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine?
The InChIKey is DXDGXMHYUMXARB-MZENOTDRSA-N. The full InChI is InChI=1S/C19H21N/c1-4-6-8-16(5-2)17-9-7-10-18(14-17)19-13-15(3)11-12-20-19/h4-11,13-14,20H,2,12H2,1,3H3/b6-4-,16-8+.
What are the key properties of 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine?
6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine has a molecular weight of 263.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 145064305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).