1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone

C13H11NO2 — CID 114736946

IUPAC1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H11NO2/c1-2-7-14-9-11(15)13-8-10-5-3-4-6-12(10)16-13/h1,3-6,8,14H,7,9H2
InChIKeyMRLLSADMURRXCU-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.84
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone

1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 114736946) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID114736946
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H11NO2/c1-2-7-14-9-11(15)13-8-10-5-3-4-6-12(10)16-13/h1,3-6,8,14H,7,9H2
InChIKeyMRLLSADMURRXCU-UHFFFAOYSA-N
XLogP1.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]ethanone
CID 110828644
N-benzyl-N-[(2-oxochromen-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 162405947
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
2-(1,3-benzodioxol-5-ylmethylamino)-1-(1-benzofuran-2-yl)ethanone
CID 110824311
1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110828646
2-amino-1-(1-benzofuran-2-yl)pent-4-yn-1-one
CID 114737293

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone (CID 114736946) is 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is MRLLSADMURRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-2-7-14-9-11(15)13-8-10-5-3-4-6-12(10)16-13/h1,3-6,8,14H,7,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone?
1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 213.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 114736946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).