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

C13H20N2O — CID 42945263

IUPAC3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C13H20N2O/c1-10(2)9-13(16)15-8-7-14-6-4-5-12(14)11(15)3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyUARJCWKQXWKISK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds2

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

3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (PubChem CID 42945263) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
PubChem CID42945263
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCn2cccc2C1C
InChIInChI=1S/C13H20N2O/c1-10(2)9-13(16)15-8-7-14-6-4-5-12(14)11(15)3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyUARJCWKQXWKISK-UHFFFAOYSA-N
XLogP2.44
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 98797995
(2E,4E)-1,6-bis(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexa-2,4-diene-1,6-dione
CID 166197770
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-thiophen-2-ylpropan-1-one
CID 42890649
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 42951721
tert-butyl N-[2-methyl-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-oxobutan-2-yl]carbamate
CID 56794240
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 94806870
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95774767
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one
CID 97095023
1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-naphthalen-1-yloxybutan-1-one
CID 55718460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one (CID 42945263) is 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is CC(C)CC(=O)N1CCn2cccc2C1C.
What is the InChIKey of 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
The InChIKey is UARJCWKQXWKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)9-13(16)15-8-7-14-6-4-5-12(14)11(15)3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one?
3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one has a molecular weight of 220.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one is sourced from PubChem (CID 42945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).