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

C16H18N2O — CID 37452067

IUPAC[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCn2cccc2[C@H]1C
InChIInChI=1S/C16H18N2O/c1-12-6-3-4-7-14(12)16(19)18-11-10-17-9-5-8-15(17)13(18)2/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyKYRASSNGKSEUPS-CYBMUJFWSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds1

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

[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone (PubChem CID 37452067) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
PubChem CID37452067
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCn2cccc2[C@H]1C
InChIInChI=1S/C16H18N2O/c1-12-6-3-4-7-14(12)16(19)18-11-10-17-9-5-8-15(17)13(18)2/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyKYRASSNGKSEUPS-CYBMUJFWSA-N
XLogP3.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115137
(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37446636
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
(4-tert-butylphenyl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47022049
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320
(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
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
1-benzofuran-2-yl-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569223
N-(2-fluorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965041

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone (CID 37452067) is [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCn2cccc2[C@H]1C.
What is the InChIKey of [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
The InChIKey is KYRASSNGKSEUPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-6-3-4-7-14(12)16(19)18-11-10-17-9-5-8-15(17)13(18)2/h3-9,13H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone?
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 37452067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).