1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one

C17H20N2O — CID 110647019

IUPAC1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCCCC(=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(20)19-13-12-18-11-6-10-15(18)17(19)14-8-4-3-5-9-14/h3-6,8-11,17H,2,7,12-13H2,1H3
InChIKeyKMFOKWXKFLIWRZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds3

About 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one

1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (PubChem CID 110647019) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
PubChem CID110647019
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCCCC(=O)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(20)19-13-12-18-11-6-10-15(18)17(19)14-8-4-3-5-9-14/h3-6,8-11,17H,2,7,12-13H2,1H3
InChIKeyKMFOKWXKFLIWRZ-UHFFFAOYSA-N
XLogP3.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
1-methyl-3-[4-oxo-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]imidazolidine-2,4-dione
CID 134054478
N-ethyl-2-methoxy-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]acetamide
CID 42813720
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
CID 146128915
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-2H-phthalazine-1,4-dione
CID 47022598
3-methyl-N-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-N-propylbutanamide
CID 42788172
3-naphthalen-1-yl-1-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1-propylurea
CID 42788189
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(5-phenylfuran-2-yl)propan-1-one
CID 42947726
(1R)-N-(4-ethoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387337

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The IUPAC name of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (CID 110647019) is 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.
What is the SMILES notation for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The canonical SMILES for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is CCCC(=O)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The InChIKey is KMFOKWXKFLIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-7-16(20)19-13-12-18-11-6-10-15(18)17(19)14-8-4-3-5-9-14/h3-6,8-11,17H,2,7,12-13H2,1H3.
What are the key properties of 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is sourced from PubChem (CID 110647019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).