1-(3-acetylimidazolidin-1-yl)ethanone

C7H12N2O2 — CID 12737183

IUPAC1-(3-acetylimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)C1
InChIInChI=1S/C7H12N2O2/c1-6(10)8-3-4-9(5-8)7(2)11/h3-5H2,1-2H3
InChIKeyPNDFKIPJTPXUDC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.35
Rot. Bonds

About 1-(3-acetylimidazolidin-1-yl)ethanone

1-(3-acetylimidazolidin-1-yl)ethanone (PubChem CID 12737183) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(3-acetylimidazolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetylimidazolidin-1-yl)ethanone
PubChem CID12737183
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(3-acetylimidazolidin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)C1
InChIInChI=1S/C7H12N2O2/c1-6(10)8-3-4-9(5-8)7(2)11/h3-5H2,1-2H3
InChIKeyPNDFKIPJTPXUDC-UHFFFAOYSA-N
XLogP-0.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylimidazolidin-1-yl)ethanone?
The IUPAC name of 1-(3-acetylimidazolidin-1-yl)ethanone (CID 12737183) is 1-(3-acetylimidazolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-acetylimidazolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-acetylimidazolidin-1-yl)ethanone is CC(=O)N1CCN(C(C)=O)C1.
What is the InChIKey of 1-(3-acetylimidazolidin-1-yl)ethanone?
The InChIKey is PNDFKIPJTPXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(10)8-3-4-9(5-8)7(2)11/h3-5H2,1-2H3.
What are the key properties of 1-(3-acetylimidazolidin-1-yl)ethanone?
1-(3-acetylimidazolidin-1-yl)ethanone has a molecular weight of 156.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylimidazolidin-1-yl)ethanone is sourced from PubChem (CID 12737183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).