1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one

C6H11N3O — CID 145372236

IUPAC1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
SMILESC/N=C(\C)N1CCNC1=O
InChIInChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+
InChIKeyKIXDZPGFPFGWBM-FNORWQNLSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds

About 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one

1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one (PubChem CID 145372236) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
PubChem CID145372236
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
SMILESC/N=C(\C)N1CCNC1=O
InChIInChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+
InChIKeyKIXDZPGFPFGWBM-FNORWQNLSA-N
XLogP0.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The IUPAC name of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one (CID 145372236) is 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one.
What is the SMILES notation for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The canonical SMILES for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one is C/N=C(\C)N1CCNC1=O.
What is the InChIKey of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
The InChIKey is KIXDZPGFPFGWBM-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(7-2)9-4-3-8-6(9)10/h3-4H2,1-2H3,(H,8,10)/b7-5+.
What are the key properties of 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one?
1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one is sourced from PubChem (CID 145372236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).