1-butan-2-yl-3-methylimidazolidin-2-one

C8H16N2O — CID 101464581

IUPAC1-butan-2-yl-3-methylimidazolidin-2-one
SMILESCCC(C)N1CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h7H,4-6H2,1-3H3
InChIKeyGBOTVKDCVXHCSV-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.15
Rot. Bonds2

About 1-butan-2-yl-3-methylimidazolidin-2-one

1-butan-2-yl-3-methylimidazolidin-2-one (PubChem CID 101464581) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-butan-2-yl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-3-methylimidazolidin-2-one
PubChem CID101464581
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-butan-2-yl-3-methylimidazolidin-2-one
SMILESCCC(C)N1CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h7H,4-6H2,1-3H3
InChIKeyGBOTVKDCVXHCSV-UHFFFAOYSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-methylimidazolidin-2-one?
The IUPAC name of 1-butan-2-yl-3-methylimidazolidin-2-one (CID 101464581) is 1-butan-2-yl-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-butan-2-yl-3-methylimidazolidin-2-one?
The canonical SMILES for 1-butan-2-yl-3-methylimidazolidin-2-one is CCC(C)N1CCN(C)C1=O.
What is the InChIKey of 1-butan-2-yl-3-methylimidazolidin-2-one?
The InChIKey is GBOTVKDCVXHCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-7(2)10-6-5-9(3)8(10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-methylimidazolidin-2-one?
1-butan-2-yl-3-methylimidazolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-methylimidazolidin-2-one is sourced from PubChem (CID 101464581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).