ethyl N-(1-benzofuran-5-yl)carbamate

C11H11NO3 — CID 54489274

IUPACethyl N-(1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2occc2c1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)12-9-3-4-10-8(7-9)5-6-15-10/h3-7H,2H2,1H3,(H,12,13)
InChIKeyXUONGKDULKTDRX-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.00
Rot. Bonds2

About ethyl N-(1-benzofuran-5-yl)carbamate

ethyl N-(1-benzofuran-5-yl)carbamate (PubChem CID 54489274) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl N-(1-benzofuran-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-benzofuran-5-yl)carbamate
PubChem CID54489274
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl N-(1-benzofuran-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2occc2c1
InChIInChI=1S/C11H11NO3/c1-2-14-11(13)12-9-3-4-10-8(7-9)5-6-15-10/h3-7H,2H2,1H3,(H,12,13)
InChIKeyXUONGKDULKTDRX-UHFFFAOYSA-N
XLogP3.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1-benzofuran-5-yl)carbamate 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 ethyl N-(1-benzofuran-5-yl)carbamate?
The IUPAC name of ethyl N-(1-benzofuran-5-yl)carbamate (CID 54489274) is ethyl N-(1-benzofuran-5-yl)carbamate.
What is the SMILES notation for ethyl N-(1-benzofuran-5-yl)carbamate?
The canonical SMILES for ethyl N-(1-benzofuran-5-yl)carbamate is CCOC(=O)Nc1ccc2occc2c1.
What is the InChIKey of ethyl N-(1-benzofuran-5-yl)carbamate?
The InChIKey is XUONGKDULKTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-14-11(13)12-9-3-4-10-8(7-9)5-6-15-10/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of ethyl N-(1-benzofuran-5-yl)carbamate?
ethyl N-(1-benzofuran-5-yl)carbamate has a molecular weight of 205.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-benzofuran-5-yl)carbamate is sourced from PubChem (CID 54489274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).