1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone

C11H13NO2 — CID 23505969

IUPAC1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cccc2c1CCN2C(C)=O
InChIInChI=1S/C11H13NO2/c1-8(13)12-7-6-9-10(12)4-3-5-11(9)14-2/h3-5H,6-7H2,1-2H3
InChIKeyFAIUJBNBBDWUAC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.60
Rot. Bonds1

About 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone

1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 23505969) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID23505969
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cccc2c1CCN2C(C)=O
InChIInChI=1S/C11H13NO2/c1-8(13)12-7-6-9-10(12)4-3-5-11(9)14-2/h3-5H,6-7H2,1-2H3
InChIKeyFAIUJBNBBDWUAC-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-3-ethyl-urea
CID 10468642
N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide
CID 44358146
(S)-N-[N-(2,3-Dihydrobenzofuran-4-yl)-Pyrrolidin-3-yl]Acetamide
CID 44358184
N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-propionamide
CID 44358196
1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-3-methyl-urea
CID 44358274
GR 196429
CID 5311134
N-{4-[(2,3-Dihydro-benzofuran-4-yl)-methyl-amino]-phenyl}-butyramide
CID 44264861
4-(2-Methylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 10822156
N-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide
CID 44357899
N-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-propionamide
CID 44358035
N-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-isobutyramide
CID 44358087
N-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-acetamide
CID 44358088

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone (CID 23505969) is 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone is COc1cccc2c1CCN2C(C)=O.
What is the InChIKey of 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FAIUJBNBBDWUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)12-7-6-9-10(12)4-3-5-11(9)14-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone?
1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 23505969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).