3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C13H17NO2 — CID 110838977

IUPAC3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C13H17NO2/c1-10-9-11-5-3-4-6-12(11)14(10)13(15)7-8-16-2/h3-6,10H,7-9H2,1-2H3
InChIKeyATEFQLYCIBRBEB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.00
Rot. Bonds3

About 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 110838977) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID110838977
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C13H17NO2/c1-10-9-11-5-3-4-6-12(11)14(10)13(15)7-8-16-2/h3-6,10H,7-9H2,1-2H3
InChIKeyATEFQLYCIBRBEB-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridin-3-yloxypropan-1-one
CID 110863873
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 103154159
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 110838977) is 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is COCCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is ATEFQLYCIBRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-9-11-5-3-4-6-12(11)14(10)13(15)7-8-16-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 110838977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).