1-(5-amino-1-benzofuran-2-yl)ethanone

C10H9NO2 — CID 3783367

IUPAC1-(5-amino-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C10H9NO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,11H2,1H3
InChIKeySCXZAKMQIFBWMR-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.22
Rot. Bonds1

About 1-(5-amino-1-benzofuran-2-yl)ethanone

1-(5-amino-1-benzofuran-2-yl)ethanone (PubChem CID 3783367) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(5-amino-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-benzofuran-2-yl)ethanone
PubChem CID3783367
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(5-amino-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C10H9NO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,11H2,1H3
InChIKeySCXZAKMQIFBWMR-UHFFFAOYSA-N
XLogP2.22
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
CID 61323433
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
1-(5-thiophen-2-yl-1-benzofuran-2-yl)ethanone
CID 16768558

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-amino-1-benzofuran-2-yl)ethanone (CID 3783367) is 1-(5-amino-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 1-(5-amino-1-benzofuran-2-yl)ethanone?
The InChIKey is SCXZAKMQIFBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,11H2,1H3.
What are the key properties of 1-(5-amino-1-benzofuran-2-yl)ethanone?
1-(5-amino-1-benzofuran-2-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 3783367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).