1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone

C13H14N2O — CID 102877907

IUPAC1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1cncc(C)c1
InChIInChI=1S/C13H14N2O/c1-10-6-12(8-14-7-10)9-15-5-3-4-13(15)11(2)16/h3-8H,9H2,1-2H3
InChIKeyZMWTYOWLLHWJOR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.44
Rot. Bonds3

About 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone

1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone (PubChem CID 102877907) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone
PubChem CID102877907
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1cncc(C)c1
InChIInChI=1S/C13H14N2O/c1-10-6-12(8-14-7-10)9-15-5-3-4-13(15)11(2)16/h3-8H,9H2,1-2H3
InChIKeyZMWTYOWLLHWJOR-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 102878793
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-2-yl]ethanone
CID 106865793
5-bromo-1-[(5-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 102881679
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
1-[(5-methyl-3-pyridinyl)methyl]-7-nitroindole
CID 102879264
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107232
1-[1-[[2-(chloromethyl)phenyl]methyl]pyrrol-2-yl]ethanone
CID 14612751
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone (CID 102877907) is 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone is CC(=O)c1cccn1Cc1cncc(C)c1.
What is the InChIKey of 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone?
The InChIKey is ZMWTYOWLLHWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-6-12(8-14-7-10)9-15-5-3-4-13(15)11(2)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone?
1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone is sourced from PubChem (CID 102877907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).