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

C14H19NO2 — CID 169265601

IUPAC1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)CC(=O)N2CCC(C)(C)O
InChIInChI=1S/C14H19NO2/c1-10-4-5-12-11(8-10)9-13(16)15(12)7-6-14(2,3)17/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyALIUXFGASPFVBH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds3

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

1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one (PubChem CID 169265601) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one
PubChem CID169265601
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one
SMILESCc1ccc2c(c1)CC(=O)N2CCC(C)(C)O
InChIInChI=1S/C14H19NO2/c1-10-4-5-12-11(8-10)9-13(16)15(12)7-6-14(2,3)17/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyALIUXFGASPFVBH-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromopentyl)-5-methyl-3H-indol-2-one
CID 57128924
2-(5-methyl-2-oxo-3H-indol-1-yl)acetaldehyde
CID 142946581
1-[(Z)-but-2-enyl]-5-methyl-3H-indol-2-one
CID 143014619
methyl 2-(5-methyl-2-oxo-3H-indol-1-yl)acetate
CID 58828801
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
5-amino-1-(3,3,3-trifluoropropyl)-3H-indol-2-one
CID 64553558
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
1-(2-bromoethyl)-5-chloro-3H-indol-2-one
CID 141484546
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
5-(1-amino-2-methylpropan-2-yl)-1-(2-chloroethyl)-3H-indol-2-one
CID 115215300
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one (CID 169265601) is 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one is Cc1ccc2c(c1)CC(=O)N2CCC(C)(C)O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one?
The InChIKey is ALIUXFGASPFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-5-12-11(8-10)9-13(16)15(12)7-6-14(2,3)17/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one?
1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-5-methyl-3H-indol-2-one is sourced from PubChem (CID 169265601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).