2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone

C12H13NO2 — CID 130579324

IUPAC2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)C1=COCC1
InChIInChI=1S/C12H13NO2/c1-2-9-4-3-6-13-11(9)12(14)10-5-7-15-8-10/h3-4,6,8H,2,5,7H2,1H3
InChIKeyXPDRUNRNAAIFHU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.13
Rot. Bonds3

About 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone

2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone (PubChem CID 130579324) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone
PubChem CID130579324
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone
SMILESCCc1cccnc1C(=O)C1=COCC1
InChIInChI=1S/C12H13NO2/c1-2-9-4-3-6-13-11(9)12(14)10-5-7-15-8-10/h3-4,6,8H,2,5,7H2,1H3
InChIKeyXPDRUNRNAAIFHU-UHFFFAOYSA-N
XLogP2.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone 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 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone?
The IUPAC name of 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone (CID 130579324) is 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone is CCc1cccnc1C(=O)C1=COCC1.
What is the InChIKey of 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone?
The InChIKey is XPDRUNRNAAIFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-9-4-3-6-13-11(9)12(14)10-5-7-15-8-10/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone?
2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone has a molecular weight of 203.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-4-yl-(3-ethyl-2-pyridinyl)methanone is sourced from PubChem (CID 130579324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).