1-(3-oxobutyl)-4-propylimidazolidin-2-one

C10H18N2O2 — CID 116980526

IUPAC1-(3-oxobutyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCC(C)=O)C(=O)N1
InChIInChI=1S/C10H18N2O2/c1-3-4-9-7-12(10(14)11-9)6-5-8(2)13/h9H,3-7H2,1-2H3,(H,11,14)
InChIKeyAJVHFXGIYJFJGN-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.16
Rot. Bonds5

About 1-(3-oxobutyl)-4-propylimidazolidin-2-one

1-(3-oxobutyl)-4-propylimidazolidin-2-one (PubChem CID 116980526) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3-oxobutyl)-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-oxobutyl)-4-propylimidazolidin-2-one
PubChem CID116980526
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(3-oxobutyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCC(C)=O)C(=O)N1
InChIInChI=1S/C10H18N2O2/c1-3-4-9-7-12(10(14)11-9)6-5-8(2)13/h9H,3-7H2,1-2H3,(H,11,14)
InChIKeyAJVHFXGIYJFJGN-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxobutyl)-4-propylimidazolidin-2-one?
The IUPAC name of 1-(3-oxobutyl)-4-propylimidazolidin-2-one (CID 116980526) is 1-(3-oxobutyl)-4-propylimidazolidin-2-one.
What is the SMILES notation for 1-(3-oxobutyl)-4-propylimidazolidin-2-one?
The canonical SMILES for 1-(3-oxobutyl)-4-propylimidazolidin-2-one is CCCC1CN(CCC(C)=O)C(=O)N1.
What is the InChIKey of 1-(3-oxobutyl)-4-propylimidazolidin-2-one?
The InChIKey is AJVHFXGIYJFJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-9-7-12(10(14)11-9)6-5-8(2)13/h9H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 1-(3-oxobutyl)-4-propylimidazolidin-2-one?
1-(3-oxobutyl)-4-propylimidazolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxobutyl)-4-propylimidazolidin-2-one is sourced from PubChem (CID 116980526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).