7-methyl-1-(2-methylpropyl)-3H-indol-2-one

C13H17NO — CID 91178999

IUPAC7-methyl-1-(2-methylpropyl)-3H-indol-2-one
SMILESCc1cccc2c1N(CC(C)C)C(=O)C2
InChIInChI=1S/C13H17NO/c1-9(2)8-14-12(15)7-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8H2,1-3H3
InChIKeyWXGASGWFMZGZCK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.54
Rot. Bonds2

About 7-methyl-1-(2-methylpropyl)-3H-indol-2-one

7-methyl-1-(2-methylpropyl)-3H-indol-2-one (PubChem CID 91178999) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-methyl-1-(2-methylpropyl)-3H-indol-2-one.

Molecular Properties

Compound Name7-methyl-1-(2-methylpropyl)-3H-indol-2-one
PubChem CID91178999
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name7-methyl-1-(2-methylpropyl)-3H-indol-2-one
SMILESCc1cccc2c1N(CC(C)C)C(=O)C2
InChIInChI=1S/C13H17NO/c1-9(2)8-14-12(15)7-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8H2,1-3H3
InChIKeyWXGASGWFMZGZCK-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
7-methyl-1-(2-methylpropyl)-2,3-dihydroindole
CID 174365784
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-ethyl-6,7-dimethyl-3H-indol-2-one
CID 14003261
3,9-dimethyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82243030
[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate
CID 44668531
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561
1-(2-aminoethyl)-7-bromo-3H-indol-2-one
CID 83760729
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] 2-trimethylsilylacetate
CID 11122156
3-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 107112140

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylpropyl)-3H-indol-2-one?
The IUPAC name of 7-methyl-1-(2-methylpropyl)-3H-indol-2-one (CID 91178999) is 7-methyl-1-(2-methylpropyl)-3H-indol-2-one.
What is the SMILES notation for 7-methyl-1-(2-methylpropyl)-3H-indol-2-one?
The canonical SMILES for 7-methyl-1-(2-methylpropyl)-3H-indol-2-one is Cc1cccc2c1N(CC(C)C)C(=O)C2.
What is the InChIKey of 7-methyl-1-(2-methylpropyl)-3H-indol-2-one?
The InChIKey is WXGASGWFMZGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)8-14-12(15)7-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 7-methyl-1-(2-methylpropyl)-3H-indol-2-one?
7-methyl-1-(2-methylpropyl)-3H-indol-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylpropyl)-3H-indol-2-one is sourced from PubChem (CID 91178999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).