2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine

C20H24N2O2 — CID 142832287

IUPAC2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine
SMILESC=C/C=C(\C=C)c1ccc(CCC2N=C(OC)CN=C2OC)cc1
InChIInChI=1S/C20H24N2O2/c1-5-7-16(6-2)17-11-8-15(9-12-17)10-13-18-20(24-4)21-14-19(22-18)23-3/h5-9,11-12,18H,1-2,10,13-14H2,3-4H3/b16-7+
InChIKeyHUNBCYLAMGOWJH-FRKPEAEDSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds6

About 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine

2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine (PubChem CID 142832287) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine.

Molecular Properties

Compound Name2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine
PubChem CID142832287
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine
SMILESC=C/C=C(\C=C)c1ccc(CCC2N=C(OC)CN=C2OC)cc1
InChIInChI=1S/C20H24N2O2/c1-5-7-16(6-2)17-11-8-15(9-12-17)10-13-18-20(24-4)21-14-19(22-18)23-3/h5-9,11-12,18H,1-2,10,13-14H2,3-4H3/b16-7+
InChIKeyHUNBCYLAMGOWJH-FRKPEAEDSA-N
XLogP3.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine;propane
CID 142832286
1-hexa-1,3,5-trien-3-yl-4-(4,4,4-trifluorobutyl)benzene
CID 123278039
1-ethenyl-4-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methoxymethyl]benzene
CID 142340198
N-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methyl]propanamide
CID 129312840
1-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-4-propylbenzene
CID 142266398
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]benzaldehyde
CID 142005838
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
1-[(3E)-hexa-1,3,5-trien-3-yl]-4-(trifluoromethyl)benzene
CID 59194469
1-butyl-4-penta-2,4-dien-2-ylbenzene
CID 123525800
2-[(2E)-3-(4-pentylphenyl)penta-2,4-dienyl]-1H-pyrrole
CID 167185306
2-(4-buta-1,3-dien-2-ylphenyl)-4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-6-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-1,3,5-triazine
CID 139475343
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine?
The IUPAC name of 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine (CID 142832287) is 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine.
What is the SMILES notation for 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine?
The canonical SMILES for 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine is C=C/C=C(\C=C)c1ccc(CCC2N=C(OC)CN=C2OC)cc1.
What is the InChIKey of 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine?
The InChIKey is HUNBCYLAMGOWJH-FRKPEAEDSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-7-16(6-2)17-11-8-15(9-12-17)10-13-18-20(24-4)21-14-19(22-18)23-3/h5-9,11-12,18H,1-2,10,13-14H2,3-4H3/b16-7+.
What are the key properties of 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine?
2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine has a molecular weight of 324.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]ethyl]-3,6-dimethoxy-2,5-dihydropyrazine is sourced from PubChem (CID 142832287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).