5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one

C14H19N3O2 — CID 78959581

IUPAC5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESCC1CN2CCCC2CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19N3O2/c1-10-8-16-6-2-3-12(16)9-17(10)14(19)11-4-5-13(18)15-7-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,15,18)
InChIKeyRYYZAKMSRBGVMD-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.68
Rot. Bonds1

About 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one

5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (PubChem CID 78959581) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
PubChem CID78959581
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
SMILESCC1CN2CCCC2CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19N3O2/c1-10-8-16-6-2-3-12(16)9-17(10)14(19)11-4-5-13(18)15-7-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,15,18)
InChIKeyRYYZAKMSRBGVMD-UHFFFAOYSA-N
XLogP0.68
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 78992331
(4-chloro-3-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136514621
(3-bromophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 78960096
[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 124738838
(4-amino-3,5-difluorophenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79933931
(4-amino-3-hydroxyphenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 107075645
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyridin-2-one
CID 65320539
(6-aminopyridazin-3-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79945203
(3-bromo-4-chlorophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103842020
2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43120481
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one (CID 78959581) is 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is CC1CN2CCCC2CN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
The InChIKey is RYYZAKMSRBGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-8-16-6-2-3-12(16)9-17(10)14(19)11-4-5-13(18)15-7-11/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,15,18).
What are the key properties of 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one?
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 78959581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).