3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one

C12H15N3O3 — CID 128893068

IUPAC3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C12H15N3O3/c1-2-10(16)14-6-7-15(8-14)12(18)9-4-3-5-13-11(9)17/h3-5H,2,6-8H2,1H3,(H,13,17)
InChIKeyKNIUXCMXNJWQHZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.03
Rot. Bonds2

About 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one

3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 128893068) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID128893068
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C12H15N3O3/c1-2-10(16)14-6-7-15(8-14)12(18)9-4-3-5-13-11(9)17/h3-5H,2,6-8H2,1H3,(H,13,17)
InChIKeyKNIUXCMXNJWQHZ-UHFFFAOYSA-N
XLogP0.03
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one (CID 128893068) is 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one is CCC(=O)N1CCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is KNIUXCMXNJWQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-10(16)14-6-7-15(8-14)12(18)9-4-3-5-13-11(9)17/h3-5H,2,6-8H2,1H3,(H,13,17).
What are the key properties of 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one?
3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 249.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propanoylimidazolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 128893068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).