1-methyl-5-(3-oxobutyl)-3H-indol-2-one

C13H15NO2 — CID 82471813

IUPAC1-methyl-5-(3-oxobutyl)-3H-indol-2-one
SMILESCC(=O)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H15NO2/c1-9(15)3-4-10-5-6-12-11(7-10)8-13(16)14(12)2/h5-7H,3-4,8H2,1-2H3
InChIKeyYBEOOUPIVPFOPU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.73
Rot. Bonds3

About 1-methyl-5-(3-oxobutyl)-3H-indol-2-one

1-methyl-5-(3-oxobutyl)-3H-indol-2-one (PubChem CID 82471813) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methyl-5-(3-oxobutyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(3-oxobutyl)-3H-indol-2-one
PubChem CID82471813
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-methyl-5-(3-oxobutyl)-3H-indol-2-one
SMILESCC(=O)CCc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H15NO2/c1-9(15)3-4-10-5-6-12-11(7-10)8-13(16)14(12)2/h5-7H,3-4,8H2,1-2H3
InChIKeyYBEOOUPIVPFOPU-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-methyl-5-[2-[methyl(sulfanylmethyl)amino]ethyl]-3H-indol-2-one
CID 115228405
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-oxobutyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(3-oxobutyl)-3H-indol-2-one (CID 82471813) is 1-methyl-5-(3-oxobutyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(3-oxobutyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(3-oxobutyl)-3H-indol-2-one is CC(=O)CCc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-(3-oxobutyl)-3H-indol-2-one?
The InChIKey is YBEOOUPIVPFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(15)3-4-10-5-6-12-11(7-10)8-13(16)14(12)2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-methyl-5-(3-oxobutyl)-3H-indol-2-one?
1-methyl-5-(3-oxobutyl)-3H-indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-oxobutyl)-3H-indol-2-one is sourced from PubChem (CID 82471813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).