3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one

C18H13NO3 — CID 752958

IUPAC3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc21
InChIInChI=1S/C18H13NO3/c20-17(19-10-9-12-5-2-4-8-15(12)19)16-11-13-6-1-3-7-14(13)18(21)22-16/h1-8,11H,9-10H2
InChIKeyQWFLEPIGXDLWNN-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.00
Rot. Bonds1

About 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one

3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one (PubChem CID 752958) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one
PubChem CID752958
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc21
InChIInChI=1S/C18H13NO3/c20-17(19-10-9-12-5-2-4-8-15(12)19)16-11-13-6-1-3-7-14(13)18(21)22-16/h1-8,11H,9-10H2
InChIKeyQWFLEPIGXDLWNN-UHFFFAOYSA-N
XLogP3.00
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate
CID 2816532
2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2481637
4-oxo-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl benzoate
CID 2816400
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
CID 2816529
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 4034846
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
1'-(2-Oxo-2-phenylethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691242
1H-Isoindole-1,3(2H)-dione, 2-((4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
CID 589907
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
2-Amino-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089231

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one (CID 752958) is 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one is O=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one?
The InChIKey is QWFLEPIGXDLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17(19-10-9-12-5-2-4-8-15(12)19)16-11-13-6-1-3-7-14(13)18(21)22-16/h1-8,11H,9-10H2.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one?
3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one has a molecular weight of 291.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)isochromen-1-one is sourced from PubChem (CID 752958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).