4-propyliminoimidazolidin-2-one

C6H11N3O — CID 140604924

IUPAC4-propyliminoimidazolidin-2-one
SMILESCCC/N=C1\CNC(=O)N1
InChIInChI=1S/C6H11N3O/c1-2-3-7-5-4-8-6(10)9-5/h2-4H2,1H3,(H2,7,8,9,10)
InChIKeyDGBXKUXSZFIGNX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.11
Rot. Bonds2

About 4-propyliminoimidazolidin-2-one

4-propyliminoimidazolidin-2-one (PubChem CID 140604924) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-propyliminoimidazolidin-2-one.

Molecular Properties

Compound Name4-propyliminoimidazolidin-2-one
PubChem CID140604924
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-propyliminoimidazolidin-2-one
SMILESCCC/N=C1\CNC(=O)N1
InChIInChI=1S/C6H11N3O/c1-2-3-7-5-4-8-6(10)9-5/h2-4H2,1H3,(H2,7,8,9,10)
InChIKeyDGBXKUXSZFIGNX-UHFFFAOYSA-N
XLogP0.11
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.11
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 4-propyliminoimidazolidin-2-one?
The IUPAC name of 4-propyliminoimidazolidin-2-one (CID 140604924) is 4-propyliminoimidazolidin-2-one.
What is the SMILES notation for 4-propyliminoimidazolidin-2-one?
The canonical SMILES for 4-propyliminoimidazolidin-2-one is CCC/N=C1\CNC(=O)N1.
What is the InChIKey of 4-propyliminoimidazolidin-2-one?
The InChIKey is DGBXKUXSZFIGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-7-5-4-8-6(10)9-5/h2-4H2,1H3,(H2,7,8,9,10).
What are the key properties of 4-propyliminoimidazolidin-2-one?
4-propyliminoimidazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyliminoimidazolidin-2-one is sourced from PubChem (CID 140604924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).