1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone

C9H13NO2 — CID 45086402

IUPAC1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
SMILESCOCCn1cccc1C(C)=O
InChIInChI=1S/C9H13NO2/c1-8(11)9-4-3-5-10(9)6-7-12-2/h3-5H,6-7H2,1-2H3
InChIKeyIBSALUSAIBIDJY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.34
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone

1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone (PubChem CID 45086402) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
PubChem CID45086402
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
SMILESCOCCn1cccc1C(C)=O
InChIInChI=1S/C9H13NO2/c1-8(11)9-4-3-5-10(9)6-7-12-2/h3-5H,6-7H2,1-2H3
InChIKeyIBSALUSAIBIDJY-UHFFFAOYSA-N
XLogP1.34
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
1-[1-(3-hydroxy-3-methylbutyl)pyrrol-2-yl]ethanone
CID 79355820
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone (CID 45086402) is 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone is COCCn1cccc1C(C)=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone?
The InChIKey is IBSALUSAIBIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8(11)9-4-3-5-10(9)6-7-12-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone?
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 45086402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).