2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one

C13H17NO — CID 71215026

IUPAC2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@@H]1Cc2ccccc2N1C
InChIInChI=1S/C13H17NO/c1-9(2)13(15)12-8-10-6-4-5-7-11(10)14(12)3/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeySMKCYIMFHSXXJO-LBPRGKRZSA-N
MW203.28 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one

2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one (PubChem CID 71215026) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
PubChem CID71215026
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@@H]1Cc2ccccc2N1C
InChIInChI=1S/C13H17NO/c1-9(2)13(15)12-8-10-6-4-5-7-11(10)14(12)3/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeySMKCYIMFHSXXJO-LBPRGKRZSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
N-(diaminomethylidene)-1-methyl-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 146027457
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one (CID 71215026) is 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one is CC(C)C(=O)[C@@H]1Cc2ccccc2N1C.
What is the InChIKey of 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one?
The InChIKey is SMKCYIMFHSXXJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)13(15)12-8-10-6-4-5-7-11(10)14(12)3/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one?
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one is sourced from PubChem (CID 71215026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).