5-hydroxy-2-imino-1-methylimidazolidin-4-one

C4H7N3O2 — CID 137321920

IUPAC5-hydroxy-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(O)N1C
InChIInChI=1S/C4H7N3O2/c1-7-3(9)2(8)6-4(7)5/h3,9H,1H3,(H2,5,6,8)
InChIKeySMQPRZPBBUJEGU-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.70
Rot. Bonds

About 5-hydroxy-2-imino-1-methylimidazolidin-4-one

5-hydroxy-2-imino-1-methylimidazolidin-4-one (PubChem CID 137321920) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 5-hydroxy-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-imino-1-methylimidazolidin-4-one
PubChem CID137321920
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name5-hydroxy-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(O)N1C
InChIInChI=1S/C4H7N3O2/c1-7-3(9)2(8)6-4(7)5/h3,9H,1H3,(H2,5,6,8)
InChIKeySMQPRZPBBUJEGU-UHFFFAOYSA-N
XLogP-1.70
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 5-hydroxy-2-imino-1-methylimidazolidin-4-one (CID 137321920) is 5-hydroxy-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 5-hydroxy-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 5-hydroxy-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\NC(=O)C(O)N1C.
What is the InChIKey of 5-hydroxy-2-imino-1-methylimidazolidin-4-one?
The InChIKey is SMQPRZPBBUJEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-7-3(9)2(8)6-4(7)5/h3,9H,1H3,(H2,5,6,8).
What are the key properties of 5-hydroxy-2-imino-1-methylimidazolidin-4-one?
5-hydroxy-2-imino-1-methylimidazolidin-4-one has a molecular weight of 129.12 g/mol, XLogP of -1.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 137321920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).