formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one

C13H16N4O4 — CID 155971936

IUPACformic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)C1CNC(=O)N1)C2.O=CO
InChIInChI=1S/C12H14N4O2.CH2O2/c1-7-2-8-5-16(6-9(8)3-13-7)11(17)10-4-14-12(18)15-10;2-1-3/h2-3,10H,4-6H2,1H3,(H2,14,15,18);1H,(H,2,3)
InChIKeyQEQZYRQYFVKEIU-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.39
Rot. Bonds1

About formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one

formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one (PubChem CID 155971936) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Nameformic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one
PubChem CID155971936
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Nameformic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one
SMILESCc1cc2c(cn1)CN(C(=O)C1CNC(=O)N1)C2.O=CO
InChIInChI=1S/C12H14N4O2.CH2O2/c1-7-2-8-5-16(6-9(8)3-13-7)11(17)10-4-14-12(18)15-10;2-1-3/h2-3,10H,4-6H2,1H3,(H2,14,15,18);1H,(H,2,3)
InChIKeyQEQZYRQYFVKEIU-UHFFFAOYSA-N
XLogP-0.39
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one?
The IUPAC name of formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one (CID 155971936) is formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one is Cc1cc2c(cn1)CN(C(=O)C1CNC(=O)N1)C2.O=CO.
What is the InChIKey of formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one?
The InChIKey is QEQZYRQYFVKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.CH2O2/c1-7-2-8-5-16(6-9(8)3-13-7)11(17)10-4-14-12(18)15-10;2-1-3/h2-3,10H,4-6H2,1H3,(H2,14,15,18);1H,(H,2,3).
What are the key properties of formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one?
formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one has a molecular weight of 292.30 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 155971936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).