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

C27H35N — CID 144808876

IUPAC6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene
SMILESC=C.C=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1.CC=CCC
InChIInChI=1S/C20H21N.C5H10.C2H4/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20;1-3-5-4-2;1-2/h6-11,13,21H,1-4,12H2,5H3;3,5H,4H2,1-2H3;1-2H2
InChIKeyFQLHWHDCNKEAKD-UHFFFAOYSA-N
MW373.58 g/mol
LogP7.58
Rot. Bonds6

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

6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene (PubChem CID 144808876) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene.

Molecular Properties

Compound Name6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene
PubChem CID144808876
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC Name6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene
SMILESC=C.C=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1.CC=CCC
InChIInChI=1S/C20H21N.C5H10.C2H4/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20;1-3-5-4-2;1-2/h6-11,13,21H,1-4,12H2,5H3;3,5H,4H2,1-2H3;1-2H2
InChIKeyFQLHWHDCNKEAKD-UHFFFAOYSA-N
XLogP7.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine
CID 144808877
5-buta-1,3-dien-2-yl-3-ethenyl-1,1,2-trimethylindene
CID 144938882
4-buta-1,3-dien-2-yl-1-methyl-2-[(2Z)-penta-2,4-dienyl]benzene
CID 145004031
ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
CID 142343113
ethane;ethene;(E)-pent-2-ene
CID 154666573
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
CID 144513780
buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
CID 172597432
CID 172597432
buta-1,3-diene;ethane;2-[(2Z,4E)-4-methyl-5-(3-methylnaphthalen-2-yl)hepta-2,4,6-trien-3-yl]-9,9-diphenylfluorene;(E)-pent-2-ene
CID 144919825
2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene
CID 144809864
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
but-1-ene;(Z)-pent-2-ene
CID 156866422

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;ethene;pent-2-ene?
The IUPAC name of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene (CID 144808876) is 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene.
What is the SMILES notation for 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene?
The canonical SMILES for 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene is C=C.C=CC(=C)c1ccc(C)c(C2=C(C=C)C(C=C)=CCN2)c1.CC=CCC.
What is the InChIKey of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene?
The InChIKey is FQLHWHDCNKEAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N.C5H10.C2H4/c1-6-14(4)17-10-9-15(5)19(13-17)20-18(8-3)16(7-2)11-12-21-20;1-3-5-4-2;1-2/h6-11,13,21H,1-4,12H2,5H3;3,5H,4H2,1-2H3;1-2H2.
What are the key properties of 6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene?
6-(5-buta-1,3-dien-2-yl-2-methylphenyl)-4,5-bis(ethenyl)-1,2-dihydropyridine;ethene;pent-2-ene has a molecular weight of 373.58 g/mol, XLogP of 7.58, 6 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;ethene;pent-2-ene is sourced from PubChem (CID 144808876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).