methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate

C8H11N3O3 — CID 118613833

IUPACmethyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C8H11N3O3/c1-10-6-4-11(13)3-5(6)9-7(10)8(12)14-2/h13H,3-4H2,1-2H3
InChIKeyCYKIRHVFZMRYRT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.09
Rot. Bonds1

About methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate

methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate (PubChem CID 118613833) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
PubChem CID118613833
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C8H11N3O3/c1-10-6-4-11(13)3-5(6)9-7(10)8(12)14-2/h13H,3-4H2,1-2H3
InChIKeyCYKIRHVFZMRYRT-UHFFFAOYSA-N
XLogP-0.09
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(difluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole-2-carboxylate
CID 118614652
3-ethyl-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613843
5-Hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613848
3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613851
2-Ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613853
Ethyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
CID 118613857
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 118613858
3-Ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613862
5-hydroxy-N,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613866
1-(3-Ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)ethanone
CID 118613871
N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613883
5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613896

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate?
The IUPAC name of methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate (CID 118613833) is methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate?
The canonical SMILES for methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate is COC(=O)c1nc2c(n1C)CN(O)C2.
What is the InChIKey of methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate?
The InChIKey is CYKIRHVFZMRYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10-6-4-11(13)3-5(6)9-7(10)8(12)14-2/h13H,3-4H2,1-2H3.
What are the key properties of methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate?
methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate is sourced from PubChem (CID 118613833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).