1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone

C11H11NO2 — CID 20560368

IUPAC1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1ccco1
InChIInChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3
InChIKeyAYCBWOMKZDMMQR-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone

1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone (PubChem CID 20560368) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
PubChem CID20560368
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1ccco1
InChIInChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3
InChIKeyAYCBWOMKZDMMQR-UHFFFAOYSA-N
XLogP2.33
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone (CID 20560368) is 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1Cc1ccco1.
What is the InChIKey of 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The InChIKey is AYCBWOMKZDMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9(13)11-5-2-6-12(11)8-10-4-3-7-14-10/h2-7H,8H2,1H3.
What are the key properties of 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone has a molecular weight of 189.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 20560368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).