1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one

C15H20N2O2 — CID 116923890

IUPAC1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
SMILESCCC(CNC)C(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H20N2O2/c1-4-10(9-16-2)15(19)11-5-6-13-12(7-11)8-14(18)17(13)3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyDGUPMFIRKUAWRU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.63
Rot. Bonds5

About 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one

1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one (PubChem CID 116923890) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
PubChem CID116923890
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
SMILESCCC(CNC)C(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H20N2O2/c1-4-10(9-16-2)15(19)11-5-6-13-12(7-11)8-14(18)17(13)3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyDGUPMFIRKUAWRU-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
1-(4-fluorophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923852
5-(4-amino-2,2-dimethylbutanoyl)-1-methyl-3H-indol-2-one
CID 116916336
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
CID 62094944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one (CID 116923890) is 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one is CCC(CNC)C(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one?
The InChIKey is DGUPMFIRKUAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-10(9-16-2)15(19)11-5-6-13-12(7-11)8-14(18)17(13)3/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one?
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one is sourced from PubChem (CID 116923890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).