5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile

C7H9N3O — CID 175687231

IUPAC5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile
SMILESCCC1N=C(N)C(C#N)C1=O
InChIInChI=1S/C7H9N3O/c1-2-5-6(11)4(3-8)7(9)10-5/h4-5H,2H2,1H3,(H2,9,10)
InChIKeyLGDOWLGFJYNGEX-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.16
Rot. Bonds1

About 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile

5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile (PubChem CID 175687231) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile
PubChem CID175687231
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile
SMILESCCC1N=C(N)C(C#N)C1=O
InChIInChI=1S/C7H9N3O/c1-2-5-6(11)4(3-8)7(9)10-5/h4-5H,2H2,1H3,(H2,9,10)
InChIKeyLGDOWLGFJYNGEX-UHFFFAOYSA-N
XLogP-0.16
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile?
The IUPAC name of 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile (CID 175687231) is 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile?
The canonical SMILES for 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile is CCC1N=C(N)C(C#N)C1=O.
What is the InChIKey of 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile?
The InChIKey is LGDOWLGFJYNGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-5-6(11)4(3-8)7(9)10-5/h4-5H,2H2,1H3,(H2,9,10).
What are the key properties of 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile?
5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-3-oxo-2,4-dihydropyrrole-4-carbonitrile is sourced from PubChem (CID 175687231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).