5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one

C13H17NO2 — CID 61087220

IUPAC5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCC(C)C(O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-8(2)13(16)9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,8,13,16H,7H2,1-3H3
InChIKeyMVQMLKQPGZJDMK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds2

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

5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one (PubChem CID 61087220) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
PubChem CID61087220
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
SMILESCC(C)C(O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H17NO2/c1-8(2)13(16)9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,8,13,16H,7H2,1-3H3
InChIKeyMVQMLKQPGZJDMK-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one (CID 61087220) is 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one is CC(C)C(O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
The InChIKey is MVQMLKQPGZJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)13(16)9-4-5-11-10(6-9)7-12(15)14(11)3/h4-6,8,13,16H,7H2,1-3H3.
What are the key properties of 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one?
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61087220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).