7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one

C14H19NO — CID 106986723

IUPAC7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
SMILESCCC(CC)C1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C14H19NO/c1-4-10(5-2)12-11-8-6-7-9(3)13(11)15-14(12)16/h6-8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyVMOMVEMWAYGBQQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.47
Rot. Bonds3

About 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one

7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one (PubChem CID 106986723) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
PubChem CID106986723
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
SMILESCCC(CC)C1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C14H19NO/c1-4-10(5-2)12-11-8-6-7-9(3)13(11)15-14(12)16/h6-8,10,12H,4-5H2,1-3H3,(H,15,16)
InChIKeyVMOMVEMWAYGBQQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986727
3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 82236321
3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 114997957
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
N-methyl-2-[(7-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114997880
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 98160364
3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
CID 106986659
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912377

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one (CID 106986723) is 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one is CCC(CC)C1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one?
The InChIKey is VMOMVEMWAYGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10(5-2)12-11-8-6-7-9(3)13(11)15-14(12)16/h6-8,10,12H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one?
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).