2-(3-ethylimidazol-4-yl)acetonitrile

C7H9N3 — CID 84648252

IUPAC2-(3-ethylimidazol-4-yl)acetonitrile
SMILESCCn1cncc1CC#N
InChIInChI=1S/C7H9N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-3H2,1H3
InChIKeyBMCMUIRAGPHTFT-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.97
Rot. Bonds2

About 2-(3-ethylimidazol-4-yl)acetonitrile

2-(3-ethylimidazol-4-yl)acetonitrile (PubChem CID 84648252) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)acetonitrile
PubChem CID84648252
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(3-ethylimidazol-4-yl)acetonitrile
SMILESCCn1cncc1CC#N
InChIInChI=1S/C7H9N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-3H2,1H3
InChIKeyBMCMUIRAGPHTFT-UHFFFAOYSA-N
XLogP0.97
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-(3-ethylimidazol-4-yl)butan-2-amine
CID 66132539
3-[(3-ethylimidazol-4-yl)methylamino]benzonitrile
CID 66119257
1-[(3-ethylimidazol-4-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 107017493
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386
1-ethyl-5-methylimidazole;hydrobromide
CID 175481904
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
2-[(3-ethylimidazol-4-yl)methylamino]-5-fluorobenzonitrile
CID 82016694
2-chloro-5-[(3-ethylimidazol-4-yl)methylamino]benzonitrile
CID 66135638
3-chloro-4-[(3-ethylimidazol-4-yl)methoxy]benzonitrile
CID 66154713

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-ethylimidazol-4-yl)acetonitrile (CID 84648252) is 2-(3-ethylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)acetonitrile is CCn1cncc1CC#N.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)acetonitrile?
The InChIKey is BMCMUIRAGPHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-10-6-9-5-7(10)3-4-8/h5-6H,2-3H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)acetonitrile?
2-(3-ethylimidazol-4-yl)acetonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 84648252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).