3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one

C17H17FN2O — CID 66970839

IUPAC3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
SMILESCC1c2cccn2CCN1C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-13-16-3-2-10-19(16)11-12-20(13)17(21)9-6-14-4-7-15(18)8-5-14/h2-10,13H,11-12H2,1H3
InChIKeyGUSPBZVEDMWWFR-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.24
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one

3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one (PubChem CID 66970839) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
PubChem CID66970839
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
SMILESCC1c2cccn2CCN1C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-13-16-3-2-10-19(16)11-12-20(13)17(21)9-6-14-4-7-15(18)8-5-14/h2-10,13H,11-12H2,1H3
InChIKeyGUSPBZVEDMWWFR-UHFFFAOYSA-N
XLogP3.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one (CID 66970839) is 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one is CC1c2cccn2CCN1C(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
The InChIKey is GUSPBZVEDMWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-13-16-3-2-10-19(16)11-12-20(13)17(21)9-6-14-4-7-15(18)8-5-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one?
3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one has a molecular weight of 284.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 66970839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).