4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane

C15H20N2O2 — CID 154689009

IUPAC4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane
SMILESC.C.CC(=O)c1c(C)[nH]c(C=O)c1-c1ccncc1
InChIInChI=1S/C13H12N2O2.2CH4/c1-8-12(9(2)17)13(11(7-16)15-8)10-3-5-14-6-4-10;;/h3-7,15H,1-2H3;2*1H4
InChIKeyPDFIDVPDQONOAI-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.67
Rot. Bonds3

About 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane

4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane (PubChem CID 154689009) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane.

Molecular Properties

Compound Name4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane
PubChem CID154689009
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane
SMILESC.C.CC(=O)c1c(C)[nH]c(C=O)c1-c1ccncc1
InChIInChI=1S/C13H12N2O2.2CH4/c1-8-12(9(2)17)13(11(7-16)15-8)10-3-5-14-6-4-10;;/h3-7,15H,1-2H3;2*1H4
InChIKeyPDFIDVPDQONOAI-UHFFFAOYSA-N
XLogP3.67
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-5-methyl-3-[4-(methylamino)phenyl]-1H-pyrrole-2-carbaldehyde
CID 154688868
CID 154689071
CID 154689071
2-formyl-4-propan-2-yl-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid
CID 87678741
ethyl 5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate;5-formyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 161241364
4-acetyl-3-benzyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688957
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
1-[4-methyl-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 54035327
4-ethyl-2-formyl-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid
CID 90704205
4-acetyl-3-cyclopentyl-5-methyl-1H-pyrrole-2-carbaldehyde
CID 154688955
4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
acetic acid;5,10,15,20-tetrapyridin-4-yl-21,23-dihydroporphyrin
CID 135956863
1-[5-(4-fluorophenyl)-2-piperidin-4-yl-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 155235302

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane?
The IUPAC name of 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane (CID 154689009) is 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane.
What is the SMILES notation for 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane?
The canonical SMILES for 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane is C.C.CC(=O)c1c(C)[nH]c(C=O)c1-c1ccncc1.
What is the InChIKey of 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane?
The InChIKey is PDFIDVPDQONOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.2CH4/c1-8-12(9(2)17)13(11(7-16)15-8)10-3-5-14-6-4-10;;/h3-7,15H,1-2H3;2*1H4.
What are the key properties of 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane?
4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane has a molecular weight of 260.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-3-pyridin-4-yl-1H-pyrrole-2-carbaldehyde;methane is sourced from PubChem (CID 154689009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).