3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile

C8H13N3O — CID 139841119

IUPAC3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
SMILESCCN1CCN(CCC#N)C1=O
InChIInChI=1S/C8H13N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h2-3,5-7H2,1H3
InChIKeyNHUQRJBVFBITFF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.66
Rot. Bonds3

About 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile

3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile (PubChem CID 139841119) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
PubChem CID139841119
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
SMILESCCN1CCN(CCC#N)C1=O
InChIInChI=1S/C8H13N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h2-3,5-7H2,1H3
InChIKeyNHUQRJBVFBITFF-UHFFFAOYSA-N
XLogP0.66
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloropropyl)-3-ethylimidazolidin-2-one
CID 15078469
1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
1,3-dibutylimidazolidin-2-one
CID 20887
1-ethyl-3-iodoimidazolidin-2-one
CID 174258160
1-ethyl-3-(2-sulfanylidenepropyl)imidazolidin-2-one
CID 163865906
5-(2,3-dioxo-4-propylpiperazin-1-yl)pentanenitrile
CID 113463112
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanenitrile
CID 115825058
1,3-dioctylimidazolidin-2-one
CID 19987667
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
CID 116980234
3-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)propanenitrile
CID 171977517

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile?
The IUPAC name of 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile (CID 139841119) is 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile is CCN1CCN(CCC#N)C1=O.
What is the InChIKey of 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile?
The InChIKey is NHUQRJBVFBITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h2-3,5-7H2,1H3.
What are the key properties of 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile?
3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile has a molecular weight of 167.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile is sourced from PubChem (CID 139841119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).