5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one

C9H17N3O — CID 138388444

IUPAC5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1(C)C(C)CC
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyCGOBPEZWYZRPBK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.42
Rot. Bonds2

About 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one

5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one (PubChem CID 138388444) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
PubChem CID138388444
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1(C)C(C)CC
InChIInChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13)
InChIKeyCGOBPEZWYZRPBK-UHFFFAOYSA-N
XLogP1.42
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one?
The IUPAC name of 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one (CID 138388444) is 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one?
The canonical SMILES for 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1(C)C(C)CC.
What is the InChIKey of 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one?
The InChIKey is CGOBPEZWYZRPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-6(2)9(3)7(10)11-8(13)12(9)4/h6H,5H2,1-4H3,(H2,10,11,13).
What are the key properties of 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one?
5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 138388444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).