1-imidazolidin-4-ylethanone

C5H10N2O — CID 142034527

IUPAC1-imidazolidin-4-ylethanone
SMILESCC(=O)C1CNCN1
InChIInChI=1S/C5H10N2O/c1-4(8)5-2-6-3-7-5/h5-7H,2-3H2,1H3
InChIKeyWPCUVMJMOQTFNJ-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.91
Rot. Bonds1

About 1-imidazolidin-4-ylethanone

1-imidazolidin-4-ylethanone (PubChem CID 142034527) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-imidazolidin-4-ylethanone.

Molecular Properties

Compound Name1-imidazolidin-4-ylethanone
PubChem CID142034527
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-imidazolidin-4-ylethanone
SMILESCC(=O)C1CNCN1
InChIInChI=1S/C5H10N2O/c1-4(8)5-2-6-3-7-5/h5-7H,2-3H2,1H3
InChIKeyWPCUVMJMOQTFNJ-UHFFFAOYSA-N
XLogP-0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

di(imidazolidin-4-yl)methanone
CID 174675876
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
1-(1,3-diazinan-4-yl)ethanone
CID 67472235
1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113787
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(4-methoxyphenyl) imidazolidine-4-carboxylate
CID 151589468
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
CID 142076983
1-(1-acetyl-1,3,5-triazinan-2-yl)ethanone
CID 70008986
acetic acid;piperazine-2-carboxamide
CID 14877963
acetic acid;piperazine-2-carboxamide
CID 174786994
1-[(2S,5R)-5-ethylpiperidin-2-yl]ethanone
CID 160982260
1-(1,2,3,6-tetrahydropyridin-2-yl)ethanone
CID 23523876

Frequently Asked Questions

What is the IUPAC name of 1-imidazolidin-4-ylethanone?
The IUPAC name of 1-imidazolidin-4-ylethanone (CID 142034527) is 1-imidazolidin-4-ylethanone.
What is the SMILES notation for 1-imidazolidin-4-ylethanone?
The canonical SMILES for 1-imidazolidin-4-ylethanone is CC(=O)C1CNCN1.
What is the InChIKey of 1-imidazolidin-4-ylethanone?
The InChIKey is WPCUVMJMOQTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(8)5-2-6-3-7-5/h5-7H,2-3H2,1H3.
What are the key properties of 1-imidazolidin-4-ylethanone?
1-imidazolidin-4-ylethanone has a molecular weight of 114.15 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazolidin-4-ylethanone is sourced from PubChem (CID 142034527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).