1-methyl-3-(5-oxohexyl)imidazolidin-2-one

C10H18N2O2 — CID 62491497

IUPAC1-methyl-3-(5-oxohexyl)imidazolidin-2-one
SMILESCC(=O)CCCCN1CCN(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-9(13)5-3-4-6-12-8-7-11(2)10(12)14/h3-8H2,1-2H3
InChIKeyHQYSTBIEWDTIDO-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.11
Rot. Bonds5

About 1-methyl-3-(5-oxohexyl)imidazolidin-2-one

1-methyl-3-(5-oxohexyl)imidazolidin-2-one (PubChem CID 62491497) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-3-(5-oxohexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-oxohexyl)imidazolidin-2-one
PubChem CID62491497
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-methyl-3-(5-oxohexyl)imidazolidin-2-one
SMILESCC(=O)CCCCN1CCN(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-9(13)5-3-4-6-12-8-7-11(2)10(12)14/h3-8H2,1-2H3
InChIKeyHQYSTBIEWDTIDO-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-oxohexyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(5-oxohexyl)imidazolidin-2-one (CID 62491497) is 1-methyl-3-(5-oxohexyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-oxohexyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-oxohexyl)imidazolidin-2-one is CC(=O)CCCCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(5-oxohexyl)imidazolidin-2-one?
The InChIKey is HQYSTBIEWDTIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)5-3-4-6-12-8-7-11(2)10(12)14/h3-8H2,1-2H3.
What are the key properties of 1-methyl-3-(5-oxohexyl)imidazolidin-2-one?
1-methyl-3-(5-oxohexyl)imidazolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-oxohexyl)imidazolidin-2-one is sourced from PubChem (CID 62491497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).