3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone

C11H16N4O — CID 81258043

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
SMILESO=C(N1CCN2CCCC2C1)n1ccnc1
InChIInChI=1S/C11H16N4O/c16-11(15-5-3-12-9-15)14-7-6-13-4-1-2-10(13)8-14/h3,5,9-10H,1-2,4,6-8H2
InChIKeyUVTGXGROIFHBPJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.63
Rot. Bonds

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone (PubChem CID 81258043) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
PubChem CID81258043
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone
SMILESO=C(N1CCN2CCCC2C1)n1ccnc1
InChIInChI=1S/C11H16N4O/c16-11(15-5-3-12-9-15)14-7-6-13-4-1-2-10(13)8-14/h3,5,9-10H,1-2,4,6-8H2
InChIKeyUVTGXGROIFHBPJ-UHFFFAOYSA-N
XLogP0.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone (CID 81258043) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone is O=C(N1CCN2CCCC2C1)n1ccnc1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone?
The InChIKey is UVTGXGROIFHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(15-5-3-12-9-15)14-7-6-13-4-1-2-10(13)8-14/h3,5,9-10H,1-2,4,6-8H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(imidazol-1-yl)methanone is sourced from PubChem (CID 81258043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).