1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C17H16N2O2 — CID 36569223

IUPAC1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-12-14-6-4-8-18(14)9-10-19(12)17(20)16-11-13-5-2-3-7-15(13)21-16/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyMMMRGNZPCRZSPW-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.45
Rot. Bonds1

About 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 36569223) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID36569223
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-12-14-6-4-8-18(14)9-10-19(12)17(20)16-11-13-5-2-3-7-15(13)21-16/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyMMMRGNZPCRZSPW-LBPRGKRZSA-N
XLogP3.45
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150
1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787419
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320
1-benzofuran-2-yl-[(2S,5R)-2,5-dimethylpiperazin-1-yl]methanone
CID 141120566
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
(E)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 37450998
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 36569223) is 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is MMMRGNZPCRZSPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-14-6-4-8-18(14)9-10-19(12)17(20)16-11-13-5-2-3-7-15(13)21-16/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 280.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 36569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).