2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

C10H11NO2 — CID 65180261

IUPAC2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H11NO2/c11-4-10(12)7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6,11H2
InChIKeyPHMWYLRCDACPCD-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.86
Rot. Bonds2

About 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (PubChem CID 65180261) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
PubChem CID65180261
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C10H11NO2/c11-4-10(12)7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6,11H2
InChIKeyPHMWYLRCDACPCD-UHFFFAOYSA-N
XLogP0.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (CID 65180261) is 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is NCC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The InChIKey is PHMWYLRCDACPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-4-10(12)7-1-2-8-5-13-6-9(8)3-7/h1-3H,4-6,11H2.
What are the key properties of 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone has a molecular weight of 177.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 65180261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).