5-imino-1-methylimidazolidin-2-one

C4H7N3O — CID 55286536

IUPAC5-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\CNC(=O)N1C
InChIInChI=1S/C4H7N3O/c1-7-3(5)2-6-4(7)8/h5H,2H2,1H3,(H,6,8)/b5-3+
InChIKeyATWKDMUZMXPABK-HWKANZROSA-N
MW113.12 g/mol
LogP-0.38
Rot. Bonds

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

5-imino-1-methylimidazolidin-2-one (PubChem CID 55286536) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-imino-1-methylimidazolidin-2-one
PubChem CID55286536
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\CNC(=O)N1C
InChIInChI=1S/C4H7N3O/c1-7-3(5)2-6-4(7)8/h5H,2H2,1H3,(H,6,8)/b5-3+
InChIKeyATWKDMUZMXPABK-HWKANZROSA-N
XLogP-0.38
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-imino-1-methylimidazolidin-2-one?
The IUPAC name of 5-imino-1-methylimidazolidin-2-one (CID 55286536) is 5-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-imino-1-methylimidazolidin-2-one?
The canonical SMILES for 5-imino-1-methylimidazolidin-2-one is [H]/N=C1\CNC(=O)N1C.
What is the InChIKey of 5-imino-1-methylimidazolidin-2-one?
The InChIKey is ATWKDMUZMXPABK-HWKANZROSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3(5)2-6-4(7)8/h5H,2H2,1H3,(H,6,8)/b5-3+.
What are the key properties of 5-imino-1-methylimidazolidin-2-one?
5-imino-1-methylimidazolidin-2-one has a molecular weight of 113.12 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 55286536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).