1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone

C11H16N4O — CID 66210524

IUPAC1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1cnc[nH]1
InChIInChI=1S/C11H16N4O/c1-7-9-3-12-2-8(9)5-15(7)11(16)10-4-13-6-14-10/h4,6-9,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyWDJWGBZGFLUEJA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.09
Rot. Bonds1

About 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone

1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 66210524) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID66210524
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1cnc[nH]1
InChIInChI=1S/C11H16N4O/c1-7-9-3-12-2-8(9)5-15(7)11(16)10-4-13-6-14-10/h4,6-9,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyWDJWGBZGFLUEJA-UHFFFAOYSA-N
XLogP0.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 66210524) is 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is CC1C2CNCC2CN1C(=O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is WDJWGBZGFLUEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-9-3-12-2-8(9)5-15(7)11(16)10-4-13-6-14-10/h4,6-9,12H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 66210524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).