5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one

C14H19NO2 — CID 116930762

IUPAC5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
SMILESCCC(CO)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H19NO2/c1-3-10(9-16)6-11-4-5-13-12(7-11)8-14(17)15(13)2/h4-5,7,10,16H,3,6,8-9H2,1-2H3
InChIKeyZAUQSJCWBBVMEG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds4

About 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one

5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one (PubChem CID 116930762) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
PubChem CID116930762
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one
SMILESCCC(CO)Cc1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H19NO2/c1-3-10(9-16)6-11-4-5-13-12(7-11)8-14(17)15(13)2/h4-5,7,10,16H,3,6,8-9H2,1-2H3
InChIKeyZAUQSJCWBBVMEG-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-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

5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
4-(1-methyl-2-oxo-3H-indol-5-yl)-3-(propylamino)butanoic acid
CID 82351116
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
1-methyl-5-[2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-3H-indol-2-one
CID 110799888
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one (CID 116930762) is 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one is CCC(CO)Cc1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one?
The InChIKey is ZAUQSJCWBBVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10(9-16)6-11-4-5-13-12(7-11)8-14(17)15(13)2/h4-5,7,10,16H,3,6,8-9H2,1-2H3.
What are the key properties of 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one?
5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)butyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116930762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).