1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone

C15H14N2O3 — CID 82344236

IUPAC1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N)o1
InChIInChI=1S/C15H14N2O3/c1-9(18)10-2-3-12-11(8-10)6-7-17(12)15(19)13-4-5-14(16)20-13/h2-5,8H,6-7,16H2,1H3
InChIKeyOHHOGVTWXRBHHZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds2

About 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone

1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 82344236) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID82344236
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N)o1
InChIInChI=1S/C15H14N2O3/c1-9(18)10-2-3-12-11(8-10)6-7-17(12)15(19)13-4-5-14(16)20-13/h2-5,8H,6-7,16H2,1H3
InChIKeyOHHOGVTWXRBHHZ-UHFFFAOYSA-N
XLogP2.27
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
[5-(aminomethyl)furan-2-yl]-(5-methoxy-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 126767960
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone (CID 82344236) is 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N)o1.
What is the InChIKey of 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is OHHOGVTWXRBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9(18)10-2-3-12-11(8-10)6-7-17(12)15(19)13-4-5-14(16)20-13/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 270.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 82344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).