6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine

C20H21N — CID 144808877

IUPAC6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine
SMILESC=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1
InChIInChI=1S/C20H21N/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20/h6-11,13,21H,1-4,12H2,5H3
InChIKeyRSBLRHARXHJSDY-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.81
Rot. Bonds5

About 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine

6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine (PubChem CID 144808877) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine
PubChem CID144808877
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine
SMILESC=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1
InChIInChI=1S/C20H21N/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20/h6-11,13,21H,1-4,12H2,5H3
InChIKeyRSBLRHARXHJSDY-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.81
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-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine?
The IUPAC name of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine (CID 144808877) is 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine?
The canonical SMILES for 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine is C=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1.
What is the InChIKey of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine?
The InChIKey is RSBLRHARXHJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20/h6-11,13,21H,1-4,12H2,5H3.
What are the key properties of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine?
6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine has a molecular weight of 275.40 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine is sourced from PubChem (CID 144808877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).