2-imino-1,5,5-trimethylimidazolidin-4-one

C6H11N3O — CID 138391490

IUPAC2-imino-1,5,5-trimethylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(C)(C)N1C
InChIInChI=1S/C6H11N3O/c1-6(2)4(10)8-5(7)9(6)3/h1-3H3,(H2,7,8,10)
InChIKeyCDSHTMPNUBQEMW-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.24
Rot. Bonds

About 2-imino-1,5,5-trimethylimidazolidin-4-one

2-imino-1,5,5-trimethylimidazolidin-4-one (PubChem CID 138391490) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-imino-1,5,5-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name2-imino-1,5,5-trimethylimidazolidin-4-one
PubChem CID138391490
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-imino-1,5,5-trimethylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(C)(C)N1C
InChIInChI=1S/C6H11N3O/c1-6(2)4(10)8-5(7)9(6)3/h1-3H3,(H2,7,8,10)
InChIKeyCDSHTMPNUBQEMW-UHFFFAOYSA-N
XLogP-0.24
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.24
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-1,5,5-trimethylimidazolidin-4-one?
The IUPAC name of 2-imino-1,5,5-trimethylimidazolidin-4-one (CID 138391490) is 2-imino-1,5,5-trimethylimidazolidin-4-one.
What is the SMILES notation for 2-imino-1,5,5-trimethylimidazolidin-4-one?
The canonical SMILES for 2-imino-1,5,5-trimethylimidazolidin-4-one is [H]/N=C1\NC(=O)C(C)(C)N1C.
What is the InChIKey of 2-imino-1,5,5-trimethylimidazolidin-4-one?
The InChIKey is CDSHTMPNUBQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-6(2)4(10)8-5(7)9(6)3/h1-3H3,(H2,7,8,10).
What are the key properties of 2-imino-1,5,5-trimethylimidazolidin-4-one?
2-imino-1,5,5-trimethylimidazolidin-4-one has a molecular weight of 141.17 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1,5,5-trimethylimidazolidin-4-one is sourced from PubChem (CID 138391490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).