5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one

C13H15NO3 — CID 116923044

IUPAC5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
SMILESCCC(CO)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-8(7-15)13(17)9-3-4-11-10(5-9)6-12(16)14-11/h3-5,8,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyHKIZKLJZQLGWNH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds4

About 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one

5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one (PubChem CID 116923044) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
PubChem CID116923044
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
SMILESCCC(CO)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-8(7-15)13(17)9-3-4-11-10(5-9)6-12(16)14-11/h3-5,8,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyHKIZKLJZQLGWNH-UHFFFAOYSA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
6-[2-(hydroxymethyl)butanoyl]-4H-1,4-benzoxazin-3-one
CID 116923075
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
CID 82485441
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
7-(2-propylpentanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82983985
methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one (CID 116923044) is 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one is CCC(CO)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one?
The InChIKey is HKIZKLJZQLGWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-8(7-15)13(17)9-3-4-11-10(5-9)6-12(16)14-11/h3-5,8,15H,2,6-7H2,1H3,(H,14,16).
What are the key properties of 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one?
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116923044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).