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

C13H16N2O2 — CID 116915591

IUPAC5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
SMILESCC(N)CC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H16N2O2/c1-8(14)5-12(16)9-3-4-11-10(6-9)7-13(17)15(11)2/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyLZEPSWDHRWWFBK-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.13
Rot. Bonds3

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

5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one (PubChem CID 116915591) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
PubChem CID116915591
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
SMILESCC(N)CC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H16N2O2/c1-8(14)5-12(16)9-3-4-11-10(6-9)7-13(17)15(11)2/h3-4,6,8H,5,7,14H2,1-2H3
InChIKeyLZEPSWDHRWWFBK-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-aminopentanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116916203
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
(E)-4-methyl-3-(1-methyl-2-oxo-3H-indol-5-yl)pent-2-enoic acid
CID 82121181
5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
CID 8575723
5-[(E)-6-amino-2-methylhex-3-en-3-yl]-1-methyl-3H-indol-2-one
CID 82300689
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one (CID 116915591) is 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one is CC(N)CC(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one?
The InChIKey is LZEPSWDHRWWFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(14)5-12(16)9-3-4-11-10(6-9)7-13(17)15(11)2/h3-4,6,8H,5,7,14H2,1-2H3.
What are the key properties of 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one?
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116915591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).