2-imino-1-(113C)methylimidazolidin-4-one

C4H7N3O — CID 153274188

IUPAC2-imino-1-(113C)methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1[13CH3]
InChIInChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1+1
InChIKeyDDRJAANPRJIHGJ-OUBTZVSYSA-N
MW114.11 g/mol
LogP-1.02
Rot. Bonds

About 2-imino-1-(113C)methylimidazolidin-4-one

2-imino-1-(113C)methylimidazolidin-4-one (PubChem CID 153274188) has the molecular formula C4H7N3O and a molecular weight of 114.11 g/mol. Its IUPAC name is 2-imino-1-(113C)methylimidazolidin-4-one.

Molecular Properties

Compound Name2-imino-1-(113C)methylimidazolidin-4-one
PubChem CID153274188
Molecular FormulaC4H7N3O
Molecular Weight114.11 g/mol
Exact Mass114.06
IUPAC Name2-imino-1-(113C)methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1[13CH3]
InChIInChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1+1
InChIKeyDDRJAANPRJIHGJ-OUBTZVSYSA-N
XLogP-1.02
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-1.02
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 2-imino-1-(113C)methylimidazolidin-4-one?
The IUPAC name of 2-imino-1-(113C)methylimidazolidin-4-one (CID 153274188) is 2-imino-1-(113C)methylimidazolidin-4-one.
What is the SMILES notation for 2-imino-1-(113C)methylimidazolidin-4-one?
The canonical SMILES for 2-imino-1-(113C)methylimidazolidin-4-one is [H]/N=C1\NC(=O)CN1[13CH3].
What is the InChIKey of 2-imino-1-(113C)methylimidazolidin-4-one?
The InChIKey is DDRJAANPRJIHGJ-OUBTZVSYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/i1+1.
What are the key properties of 2-imino-1-(113C)methylimidazolidin-4-one?
2-imino-1-(113C)methylimidazolidin-4-one has a molecular weight of 114.11 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(113C)methylimidazolidin-4-one is sourced from PubChem (CID 153274188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).