2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C25H26N2O3 — CID 55557465

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESC=CCc1ccc(OCC(=O)N2CCn3cccc3C2c2ccccc2)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-3-8-19-12-13-22(23(17-19)29-2)30-18-24(28)27-16-15-26-14-7-11-21(26)25(27)20-9-5-4-6-10-20/h3-7,9-14,17,25H,1,8,15-16,18H2,2H3
InChIKeyFAABMILVYNTRDP-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.24
Rot. Bonds7

About 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 55557465) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID55557465
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESC=CCc1ccc(OCC(=O)N2CCn3cccc3C2c2ccccc2)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-3-8-19-12-13-22(23(17-19)29-2)30-18-24(28)27-16-15-26-14-7-11-21(26)25(27)20-9-5-4-6-10-20/h3-7,9-14,17,25H,1,8,15-16,18H2,2H3
InChIKeyFAABMILVYNTRDP-UHFFFAOYSA-N
XLogP4.24
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 55557465) is 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is C=CCc1ccc(OCC(=O)N2CCn3cccc3C2c2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is FAABMILVYNTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-8-19-12-13-22(23(17-19)29-2)30-18-24(28)27-16-15-26-14-7-11-21(26)25(27)20-9-5-4-6-10-20/h3-7,9-14,17,25H,1,8,15-16,18H2,2H3.
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 402.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 55557465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).