4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile

C15H17N3O2 — CID 100774221

IUPAC4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
SMILESCOc1ccccc1Oc1c(N)cc(C#N)n1C(C)C
InChIInChI=1S/C15H17N3O2/c1-10(2)18-11(9-16)8-12(17)15(18)20-14-7-5-4-6-13(14)19-3/h4-8,10H,17H2,1-3H3
InChIKeyVBYBNTBYEUIICV-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.32
Rot. Bonds4

About 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile

4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile (PubChem CID 100774221) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
PubChem CID100774221
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile
SMILESCOc1ccccc1Oc1c(N)cc(C#N)n1C(C)C
InChIInChI=1S/C15H17N3O2/c1-10(2)18-11(9-16)8-12(17)15(18)20-14-7-5-4-6-13(14)19-3/h4-8,10H,17H2,1-3H3
InChIKeyVBYBNTBYEUIICV-UHFFFAOYSA-N
XLogP3.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-propan-2-yl-5-propan-2-yloxypyrrole-2-carbonitrile
CID 100772555
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
methyl 4-(3-amino-1-butan-2-yl-5-cyanopyrrol-2-yl)oxybenzoate
CID 133168503
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
2-(2-methoxyphenoxy)-3-propan-2-ylimidazol-4-amine
CID 117190683
4-amino-5-(2-chlorophenoxy)-1-ethylpyrrole-2-carbonitrile
CID 100773756
4-amino-1-[(2R)-butan-2-yl]-5-(2-methoxyethoxy)pyrrole-2-carbonitrile
CID 100772757
4-amino-5-(2-chlorophenoxy)-1-propylpyrrole-2-carbonitrile
CID 100773761
4-amino-1-butan-2-yl-5-[(2-methylpropan-2-yl)oxy]pyrrole-2-carbonitrile
CID 133168442
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
4-amino-5-(2-methyl-5-propan-2-ylphenoxy)-1-(2-methylpropyl)pyrrole-2-carbonitrile
CID 100774919

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile (CID 100774221) is 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile is COc1ccccc1Oc1c(N)cc(C#N)n1C(C)C.
What is the InChIKey of 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile?
The InChIKey is VBYBNTBYEUIICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)18-11(9-16)8-12(17)15(18)20-14-7-5-4-6-13(14)19-3/h4-8,10H,17H2,1-3H3.
What are the key properties of 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile?
4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methoxyphenoxy)-1-propan-2-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 100774221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).