4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile

C12H19N3O2 — CID 100772841

IUPAC4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1OCCOCC
InChIInChI=1S/C12H19N3O2/c1-3-5-15-10(9-13)8-11(14)12(15)17-7-6-16-4-2/h8H,3-7,14H2,1-2H3
InChIKeyGVHKCSJXUPVIRQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds7

About 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile

4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile (PubChem CID 100772841) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
PubChem CID100772841
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile
SMILESCCCn1c(C#N)cc(N)c1OCCOCC
InChIInChI=1S/C12H19N3O2/c1-3-5-15-10(9-13)8-11(14)12(15)17-7-6-16-4-2/h8H,3-7,14H2,1-2H3
InChIKeyGVHKCSJXUPVIRQ-UHFFFAOYSA-N
XLogP1.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(2-methoxyethoxy)-1-prop-2-enylpyrrole-2-carbonitrile
CID 100772772
4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
CID 100773761
4-amino-5-(2,5-dimethylphenoxy)-1-propylpyrrole-2-carbonitrile
CID 100774591
4-amino-1-ethyl-5-(3-methoxy-3-methylbutoxy)pyrrole-2-carbonitrile
CID 100773151
4-amino-1-benzyl-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772785
4-amino-5-(1-methoxypropan-2-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 133168457
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773744
4-amino-1-butyl-5-chloropyrrole-2-carbonitrile
CID 100775495

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile (CID 100772841) is 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile is CCCn1c(C#N)cc(N)c1OCCOCC.
What is the InChIKey of 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile?
The InChIKey is GVHKCSJXUPVIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-15-10(9-13)8-11(14)12(15)17-7-6-16-4-2/h8H,3-7,14H2,1-2H3.
What are the key properties of 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile?
4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile has a molecular weight of 237.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-ethoxyethoxy)-1-propylpyrrole-2-carbonitrile is sourced from PubChem (CID 100772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).