1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone

C13H14N2O2 — CID 79107045

IUPAC1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
SMILESCOc1cccc(Cn2ccc(C(C)=O)c2)n1
InChIInChI=1S/C13H14N2O2/c1-10(16)11-6-7-15(8-11)9-12-4-3-5-13(14-12)17-2/h3-8H,9H2,1-2H3
InChIKeyLNBPHWUWAXTXNJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.14
Rot. Bonds4

About 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone

1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone (PubChem CID 79107045) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
PubChem CID79107045
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
SMILESCOc1cccc(Cn2ccc(C(C)=O)c2)n1
InChIInChI=1S/C13H14N2O2/c1-10(16)11-6-7-15(8-11)9-12-4-3-5-13(14-12)17-2/h3-8H,9H2,1-2H3
InChIKeyLNBPHWUWAXTXNJ-UHFFFAOYSA-N
XLogP2.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
CID 79099502
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097126
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
CID 115659308
2-amino-N-[[1-[(6-methoxy-2-pyridinyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778690
1-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-3-yl]ethanone
CID 79240684
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
5-[(3-acetylpyrrol-1-yl)methyl]-2-methoxybenzonitrile
CID 79107365
1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721303
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methoxypyridine
CID 63985931
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone (CID 79107045) is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone is COc1cccc(Cn2ccc(C(C)=O)c2)n1.
What is the InChIKey of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone?
The InChIKey is LNBPHWUWAXTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(16)11-6-7-15(8-11)9-12-4-3-5-13(14-12)17-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone?
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 79107045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).