4-imino-5-propan-2-ylimidazolidin-2-one

C6H11N3O — CID 138388222

IUPAC4-imino-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1C(C)C
InChIInChI=1S/C6H11N3O/c1-3(2)4-5(7)9-6(10)8-4/h3-4H,1-2H3,(H3,7,8,9,10)
InChIKeyKZRJRPZVDKJDTN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.30
Rot. Bonds1

About 4-imino-5-propan-2-ylimidazolidin-2-one

4-imino-5-propan-2-ylimidazolidin-2-one (PubChem CID 138388222) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-imino-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-propan-2-ylimidazolidin-2-one
PubChem CID138388222
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-imino-5-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1C(C)C
InChIInChI=1S/C6H11N3O/c1-3(2)4-5(7)9-6(10)8-4/h3-4H,1-2H3,(H3,7,8,9,10)
InChIKeyKZRJRPZVDKJDTN-UHFFFAOYSA-N
XLogP0.30
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
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-imino-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-5-propan-2-ylimidazolidin-2-one (CID 138388222) is 4-imino-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)NC1C(C)C.
What is the InChIKey of 4-imino-5-propan-2-ylimidazolidin-2-one?
The InChIKey is KZRJRPZVDKJDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3(2)4-5(7)9-6(10)8-4/h3-4H,1-2H3,(H3,7,8,9,10).
What are the key properties of 4-imino-5-propan-2-ylimidazolidin-2-one?
4-imino-5-propan-2-ylimidazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138388222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).