2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide

C13H15NO2 — CID 123181605

IUPAC2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide
SMILESNC(=O)CC1CC1c1cccc2c1CCO2
InChIInChI=1S/C13H15NO2/c14-13(15)7-8-6-11(8)9-2-1-3-12-10(9)4-5-16-12/h1-3,8,11H,4-7H2,(H2,14,15)
InChIKeyAYTPIAULWKMWEV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds3

About 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide

2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide (PubChem CID 123181605) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide
PubChem CID123181605
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide
SMILESNC(=O)CC1CC1c1cccc2c1CCO2
InChIInChI=1S/C13H15NO2/c14-13(15)7-8-6-11(8)9-2-1-3-12-10(9)4-5-16-12/h1-3,8,11H,4-7H2,(H2,14,15)
InChIKeyAYTPIAULWKMWEV-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide (CID 123181605) is 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide is NC(=O)CC1CC1c1cccc2c1CCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide?
The InChIKey is AYTPIAULWKMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c14-13(15)7-8-6-11(8)9-2-1-3-12-10(9)4-5-16-12/h1-3,8,11H,4-7H2,(H2,14,15).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide?
2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide is sourced from PubChem (CID 123181605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).