4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile

C15H17N3O2 — CID 100773744

IUPAC4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
SMILESCOCCn1c(C#N)cc(N)c1Oc1ccc(C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)20-15-14(17)9-12(10-16)18(15)7-8-19-2/h3-6,9H,7-8,17H2,1-2H3
InChIKeyHAGYMXLNRUFPLY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile

4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile (PubChem CID 100773744) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
PubChem CID100773744
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile
SMILESCOCCn1c(C#N)cc(N)c1Oc1ccc(C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)20-15-14(17)9-12(10-16)18(15)7-8-19-2/h3-6,9H,7-8,17H2,1-2H3
InChIKeyHAGYMXLNRUFPLY-UHFFFAOYSA-N
XLogP2.69
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(2-methoxyethyl)-5-(4-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774574
4-amino-1-benzyl-5-(4-methylphenoxy)pyrrole-2-carbonitrile
CID 100773692
4-amino-1-butyl-5-phenoxypyrrole-2-carbonitrile
CID 100773287
4-amino-1-ethyl-5-(4-fluorophenoxy)pyrrole-2-carbonitrile
CID 100774114
4-amino-1-butyl-5-(3-methylphenoxy)pyrrole-2-carbonitrile
CID 100773534
4-amino-1-(2-methoxyethyl)-5-[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100767744
4-amino-5-(2-methoxyphenoxy)-1-[(4-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100774276
4-amino-5-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrrole-2-carbonitrile
CID 100767755
4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile
CID 100769987
methyl 4-[3-amino-1-[(4-chlorophenyl)methyl]-5-cyanopyrrol-2-yl]oxybenzoate
CID 100775050
4-amino-5-(1,3-benzodioxol-5-yloxy)-1-pentylpyrrole-2-carbonitrile
CID 100774825
methyl 4-[3-amino-5-cyano-1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]oxybenzoate
CID 100775025

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile (CID 100773744) is 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile is COCCn1c(C#N)cc(N)c1Oc1ccc(C)cc1.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile?
The InChIKey is HAGYMXLNRUFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-5-13(6-4-11)20-15-14(17)9-12(10-16)18(15)7-8-19-2/h3-6,9H,7-8,17H2,1-2H3.
What are the key properties of 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile?
4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile has a molecular weight of 271.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-5-(4-methylphenoxy)pyrrole-2-carbonitrile is sourced from PubChem (CID 100773744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).