4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde

C15H16N2O2 — CID 154688868

IUPAC4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde
SMILESCNc1ccc(-c2c(C=O)[nH]c(C)c2C(C)=O)cc1
InChIInChI=1S/C15H16N2O2/c1-9-14(10(2)19)15(13(8-18)17-9)11-4-6-12(16-3)7-5-11/h4-8,16-17H,1-3H3
InChIKeyHVFHWFXKZVGFPZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.05
Rot. Bonds4

About 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde

4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 154688868) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde
PubChem CID154688868
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde
SMILESCNc1ccc(-c2c(C=O)[nH]c(C)c2C(C)=O)cc1
InChIInChI=1S/C15H16N2O2/c1-9-14(10(2)19)15(13(8-18)17-9)11-4-6-12(16-3)7-5-11/h4-8,16-17H,1-3H3
InChIKeyHVFHWFXKZVGFPZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde 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-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane
CID 154689009
CID 154689071
CID 154689071
4-acetyl-3-benzyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688957
1-[2-methyl-4-(methylamino)-5-phenyl-1H-pyrrol-3-yl]ethanone
CID 3028306
4-acetyl-3-cyclopentyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688955
ethane;4-(methylamino)benzaldehyde
CID 90757327
4-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
5-methyl-4-methylsulfonyl-3-phenyl-1H-pyrrole-2-carbaldehyde
CID 59987008
ethyl 2-(2-aminoethyl)-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-3-carboxylate
CID 86637682
4-[(2E)-2-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 135678437
4-[2-[(4-methoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4918762
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde (CID 154688868) is 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde is CNc1ccc(-c2c(C=O)[nH]c(C)c2C(C)=O)cc1.
What is the InChIKey of 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is HVFHWFXKZVGFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-14(10(2)19)15(13(8-18)17-9)11-4-6-12(16-3)7-5-11/h4-8,16-17H,1-3H3.
What are the key properties of 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde?
4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 256.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 154688868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).