2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile

C15H17N3O — CID 54949070

IUPAC2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCOc2ccccc2)c1C
InChIInChI=1S/C15H17N3O/c1-11-12(2)18(15(17)14(11)10-16)8-9-19-13-6-4-3-5-7-13/h3-7H,8-9,17H2,1-2H3
InChIKeyYVCYNNPBORPJRT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile (PubChem CID 54949070) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
PubChem CID54949070
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCOc2ccccc2)c1C
InChIInChI=1S/C15H17N3O/c1-11-12(2)18(15(17)14(11)10-16)8-9-19-13-6-4-3-5-7-13/h3-7H,8-9,17H2,1-2H3
InChIKeyYVCYNNPBORPJRT-UHFFFAOYSA-N
XLogP2.64
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,5-dimethyl-1-(3-propoxypropyl)pyrrole-3-carbonitrile
CID 82947324
2-amino-4,5-dimethyl-1-(4-propan-2-yloxybutyl)pyrrole-3-carbonitrile
CID 106008187
2-amino-1-[3-(diethylamino)propyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 43159151
2-amino-1-(2,2-difluoroethyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 115408294
2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 71670443
2-amino-1-[(2,4-difluorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 55052993
4-amino-1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrrole-2-carbonitrile
CID 100769987
2-amino-1-(2-fluorophenyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 13072951
2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
CID 62847238
2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile
CID 112685374
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
CID 6493745

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile (CID 54949070) is 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(CCOc2ccccc2)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile?
The InChIKey is YVCYNNPBORPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-12(2)18(15(17)14(11)10-16)8-9-19-13-6-4-3-5-7-13/h3-7H,8-9,17H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 54949070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).