ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone

C13H19NO — CID 145087569

IUPACethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
SMILESCC.CC(=O)C1Cc2ccccc2N1C
InChIInChI=1S/C11H13NO.C2H6/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyUVCKNXPMTGEBNQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds1

About ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone

ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone (PubChem CID 145087569) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
PubChem CID145087569
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
SMILESCC.CC(=O)C1Cc2ccccc2N1C
InChIInChI=1S/C11H13NO.C2H6/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2;1-2/h3-6,11H,7H2,1-2H3;1-2H3
InChIKeyUVCKNXPMTGEBNQ-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 146027457
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
(1,4-dimethylpyrazol-3-yl)-(3-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 154794007
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone?
The IUPAC name of ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone (CID 145087569) is ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone.
What is the SMILES notation for ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone?
The canonical SMILES for ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone is CC.CC(=O)C1Cc2ccccc2N1C.
What is the InChIKey of ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone?
The InChIKey is UVCKNXPMTGEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2;1-2/h3-6,11H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone?
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone has a molecular weight of 205.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone is sourced from PubChem (CID 145087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).