N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide

C15H16N2O2 — CID 818783

IUPACN-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)cc(C=O)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10-8-13(9-18)11(2)17(10)15-6-4-14(5-7-15)16-12(3)19/h4-9H,1-3H3,(H,16,19)
InChIKeyJVRKQCGWJOLYKE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.87
Rot. Bonds3

About N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide

N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide (PubChem CID 818783) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
PubChem CID818783
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)cc(C=O)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10-8-13(9-18)11(2)17(10)15-6-4-14(5-7-15)16-12(3)19/h4-9H,1-3H3,(H,16,19)
InChIKeyJVRKQCGWJOLYKE-UHFFFAOYSA-N
XLogP2.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethyl-1-phenylpyrrole-3-carboxaldehyde
CID 66515
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
N-(2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 880072
2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 227177
1-[4-Acetyl-1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 658866
2-(2,5-Dimethylpyrrol-1-yl)benzamide
CID 118443935
2,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrrole-3-carbaldehyde
CID 618520
1-(2-Fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 818778
1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde
CID 226225
2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 12478742
N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 2110634

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide (CID 818783) is N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(C)cc(C=O)c2C)cc1.
What is the InChIKey of N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The InChIKey is JVRKQCGWJOLYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-8-13(9-18)11(2)17(10)15-6-4-14(5-7-15)16-12(3)19/h4-9H,1-3H3,(H,16,19).
What are the key properties of N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).