1-(1-propyl-2,3-dihydroindol-2-yl)ethanone

C13H17NO — CID 115106307

IUPAC1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
SMILESCCCN1c2ccccc2CC1C(C)=O
InChIInChI=1S/C13H17NO/c1-3-8-14-12-7-5-4-6-11(12)9-13(14)10(2)15/h4-7,13H,3,8-9H2,1-2H3
InChIKeyGJMYWIXMKFFWEZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone

1-(1-propyl-2,3-dihydroindol-2-yl)ethanone (PubChem CID 115106307) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
PubChem CID115106307
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
SMILESCCCN1c2ccccc2CC1C(C)=O
InChIInChI=1S/C13H17NO/c1-3-8-14-12-7-5-4-6-11(12)9-13(14)10(2)15/h4-7,13H,3,8-9H2,1-2H3
InChIKeyGJMYWIXMKFFWEZ-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
methyl 1-(3-acetamidopropyl)-2,3-dihydroindole-2-carboxylate
CID 57070963
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone?
The IUPAC name of 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone (CID 115106307) is 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone.
What is the SMILES notation for 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone?
The canonical SMILES for 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone is CCCN1c2ccccc2CC1C(C)=O.
What is the InChIKey of 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone?
The InChIKey is GJMYWIXMKFFWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-8-14-12-7-5-4-6-11(12)9-13(14)10(2)15/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone?
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone has a molecular weight of 203.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyl-2,3-dihydroindol-2-yl)ethanone is sourced from PubChem (CID 115106307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).