1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone

C14H22N4O — CID 90653198

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone
SMILESCc1ncn(CC(=O)N2CCN3CCCC3C2)c1C
InChIInChI=1S/C14H22N4O/c1-11-12(2)18(10-15-11)9-14(19)17-7-6-16-5-3-4-13(16)8-17/h10,13H,3-9H2,1-2H3
InChIKeyUQCFKPIKRCRAKW-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.81
Rot. Bonds2

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone (PubChem CID 90653198) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone
PubChem CID90653198
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone
SMILESCc1ncn(CC(=O)N2CCN3CCCC3C2)c1C
InChIInChI=1S/C14H22N4O/c1-11-12(2)18(10-15-11)9-14(19)17-7-6-16-5-3-4-13(16)8-17/h10,13H,3-9H2,1-2H3
InChIKeyUQCFKPIKRCRAKW-UHFFFAOYSA-N
XLogP0.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone with MolForge

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Related Compounds

7-(2-Pyrrolidin-1-ylpropanoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56915004
1-methyl-4-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]piperazin-2-one formate
CID 129612273
(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
1-[(2S)-2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 164638352
2-(4,5-dimethylimidazol-1-yl)-N,N-dipropylacetamide
CID 19964980
ethane;N-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 53631555
N-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 53631556
2-(4,5-dimethylimidazol-1-yl)-N,N-diethylacetamide
CID 53949427
2-(4,5-dimethylimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 53960744
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide
CID 54380934
3-Tert-butyl-4,6,7-trimethyl-3a,9a-dihydroimidazo[1,2-a]purin-9-one
CID 57848071
3-Ethyl-4,6,7-trimethyl-3a,9a-dihydroimidazo[1,2-a]purin-9-one
CID 68086804

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone (CID 90653198) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone is Cc1ncn(CC(=O)N2CCN3CCCC3C2)c1C.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone?
The InChIKey is UQCFKPIKRCRAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-12(2)18(10-15-11)9-14(19)17-7-6-16-5-3-4-13(16)8-17/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone has a molecular weight of 262.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanone is sourced from PubChem (CID 90653198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).