3-methyl-1-propanoyl-3H-indol-2-one

C12H13NO2 — CID 145119446

IUPAC3-methyl-1-propanoyl-3H-indol-2-one
SMILESCCC(=O)N1C(=O)C(C)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-3-11(14)13-10-7-5-4-6-9(10)8(2)12(13)15/h4-8H,3H2,1-2H3
InChIKeyCMWGCOOIKUWZDG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.07
Rot. Bonds1

About 3-methyl-1-propanoyl-3H-indol-2-one

3-methyl-1-propanoyl-3H-indol-2-one (PubChem CID 145119446) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methyl-1-propanoyl-3H-indol-2-one.

Molecular Properties

Compound Name3-methyl-1-propanoyl-3H-indol-2-one
PubChem CID145119446
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-methyl-1-propanoyl-3H-indol-2-one
SMILESCCC(=O)N1C(=O)C(C)c2ccccc21
InChIInChI=1S/C12H13NO2/c1-3-11(14)13-10-7-5-4-6-9(10)8(2)12(13)15/h4-8H,3H2,1-2H3
InChIKeyCMWGCOOIKUWZDG-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
(2S)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704857
(2R)-2-methyl-1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 704856
4-propanoyl-1,4-benzoxazin-3-one
CID 18325679
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-[(2S,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 7335996
1-ethyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
CID 82647171
1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
CID 160578438
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
CID 102270408
1-(2-fluoro-2-methylpropoxy)-3-methyl-3H-indol-2-one
CID 131964046
[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate
CID 175072095

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propanoyl-3H-indol-2-one?
The IUPAC name of 3-methyl-1-propanoyl-3H-indol-2-one (CID 145119446) is 3-methyl-1-propanoyl-3H-indol-2-one.
What is the SMILES notation for 3-methyl-1-propanoyl-3H-indol-2-one?
The canonical SMILES for 3-methyl-1-propanoyl-3H-indol-2-one is CCC(=O)N1C(=O)C(C)c2ccccc21.
What is the InChIKey of 3-methyl-1-propanoyl-3H-indol-2-one?
The InChIKey is CMWGCOOIKUWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-11(14)13-10-7-5-4-6-9(10)8(2)12(13)15/h4-8H,3H2,1-2H3.
What are the key properties of 3-methyl-1-propanoyl-3H-indol-2-one?
3-methyl-1-propanoyl-3H-indol-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propanoyl-3H-indol-2-one is sourced from PubChem (CID 145119446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).