4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one

C9H17N3O — CID 138388448

IUPAC4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1C(C)CCC
InChIInChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyZIPNLIPRVLPAPL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.42
Rot. Bonds3

About 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one

4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one (PubChem CID 138388448) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
PubChem CID138388448
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1C(C)CCC
InChIInChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13)
InChIKeyZIPNLIPRVLPAPL-UHFFFAOYSA-N
XLogP1.42
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.42
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-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one (CID 138388448) is 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1C(C)CCC.
What is the InChIKey of 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one?
The InChIKey is ZIPNLIPRVLPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-6(2)7-8(10)11-9(13)12(7)3/h6-7H,4-5H2,1-3H3,(H2,10,11,13).
What are the key properties of 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one?
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).