2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one

C20H21NO3 — CID 972947

IUPAC2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H21NO3/c1-12-17-15(22)10-20(2,3)11-16(17)24-18(12)19(23)21-9-8-13-6-4-5-7-14(13)21/h4-7H,8-11H2,1-3H3
InChIKeyCISKEPHUMGOMPO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.95
Rot. Bonds1

About 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one

2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one (PubChem CID 972947) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
PubChem CID972947
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H21NO3/c1-12-17-15(22)10-20(2,3)11-16(17)24-18(12)19(23)21-9-8-13-6-4-5-7-14(13)21/h4-7H,8-11H2,1-3H3
InChIKeyCISKEPHUMGOMPO-UHFFFAOYSA-N
XLogP3.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one with MolForge

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Related Compounds

Benzofuran-2-yl(indolin-1-yl)methanone
CID 780029
2-Methyl-1-(5-methyl-2-furoyl)indoline
CID 2971468
2,3-Dihydroindol-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 7958162
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9328527
(3-Methyl-1-benzofuran-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16293355
1-(5-Methyl-2-furoyl)indoline
CID 897776
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3798162
3,6,6-trimethyl-4-oxo-N-phenyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 972766
1-[(3-Methyl-1-benzofuran-2-yl)carbonyl]indoline
CID 1247770
1-[4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)furan-2-yl]phenyl]ethanone
CID 2576069
2,3-Dihydroindol-1-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 2634063
ethyl {3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2885014

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one (CID 972947) is 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one is Cc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one?
The InChIKey is CISKEPHUMGOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12-17-15(22)10-20(2,3)11-16(17)24-18(12)19(23)21-9-8-13-6-4-5-7-14(13)21/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one?
2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one is sourced from PubChem (CID 972947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).