1-hexyl-2-iminoimidazolidin-4-one

C9H17N3O — CID 137321870

IUPAC1-hexyl-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1CCCCCC
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-8(13)11-9(12)10/h2-7H2,1H3,(H2,10,11,13)
InChIKeyWNMOZNYQBYZEAV-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds5

About 1-hexyl-2-iminoimidazolidin-4-one

1-hexyl-2-iminoimidazolidin-4-one (PubChem CID 137321870) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-hexyl-2-iminoimidazolidin-4-one.

Molecular Properties

Compound Name1-hexyl-2-iminoimidazolidin-4-one
PubChem CID137321870
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-hexyl-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)CN1CCCCCC
InChIInChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-8(13)11-9(12)10/h2-7H2,1H3,(H2,10,11,13)
InChIKeyWNMOZNYQBYZEAV-UHFFFAOYSA-N
XLogP0.93
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-iminoimidazolidin-4-one?
The IUPAC name of 1-hexyl-2-iminoimidazolidin-4-one (CID 137321870) is 1-hexyl-2-iminoimidazolidin-4-one.
What is the SMILES notation for 1-hexyl-2-iminoimidazolidin-4-one?
The canonical SMILES for 1-hexyl-2-iminoimidazolidin-4-one is [H]/N=C1\NC(=O)CN1CCCCCC.
What is the InChIKey of 1-hexyl-2-iminoimidazolidin-4-one?
The InChIKey is WNMOZNYQBYZEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-8(13)11-9(12)10/h2-7H2,1H3,(H2,10,11,13).
What are the key properties of 1-hexyl-2-iminoimidazolidin-4-one?
1-hexyl-2-iminoimidazolidin-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-iminoimidazolidin-4-one is sourced from PubChem (CID 137321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).