2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile

C7H9N3O — CID 54242314

IUPAC2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile
SMILESCCn1cc(O)c(C#N)c1N
InChIInChI=1S/C7H9N3O/c1-2-10-4-6(11)5(3-8)7(10)9/h4,11H,2,9H2,1H3
InChIKeyQQWFQZOBSIFHLH-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.67
Rot. Bonds1

About 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile

2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile (PubChem CID 54242314) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile
PubChem CID54242314
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile
SMILESCCn1cc(O)c(C#N)c1N
InChIInChI=1S/C7H9N3O/c1-2-10-4-6(11)5(3-8)7(10)9/h4,11H,2,9H2,1H3
InChIKeyQQWFQZOBSIFHLH-UHFFFAOYSA-N
XLogP0.67
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile (CID 54242314) is 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile is CCn1cc(O)c(C#N)c1N.
What is the InChIKey of 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile?
The InChIKey is QQWFQZOBSIFHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-10-4-6(11)5(3-8)7(10)9/h4,11H,2,9H2,1H3.
What are the key properties of 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile?
2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-4-hydroxypyrrole-3-carbonitrile is sourced from PubChem (CID 54242314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).