(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone

C11H16N4O2 — CID 118613874

IUPAC(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCC2)nc2c1CN(O)C2
InChIInChI=1S/C11H16N4O2/c1-13-9-7-15(17)6-8(9)12-10(13)11(16)14-4-2-3-5-14/h17H,2-7H2,1H3
InChIKeyLKQPNCWODYWKDA-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.36
Rot. Bonds1

About (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone

(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 118613874) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID118613874
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCC2)nc2c1CN(O)C2
InChIInChI=1S/C11H16N4O2/c1-13-9-7-15(17)6-8(9)12-10(13)11(16)14-4-2-3-5-14/h17H,2-7H2,1H3
InChIKeyLKQPNCWODYWKDA-UHFFFAOYSA-N
XLogP0.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone (CID 118613874) is (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone is Cn1c(C(=O)N2CCCC2)nc2c1CN(O)C2.
What is the InChIKey of (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LKQPNCWODYWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13-9-7-15(17)6-8(9)12-10(13)11(16)14-4-2-3-5-14/h17H,2-7H2,1H3.
What are the key properties of (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone?
(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 236.27 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118613874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).