7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one

C14H19NO2 — CID 82172426

IUPAC7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)C(C)(C)C)c1)NC(=O)C2
InChIInChI=1S/C14H19NO2/c1-8-5-9-7-11(16)15-12(9)10(6-8)13(17)14(2,3)4/h5-6,13,17H,7H2,1-4H3,(H,15,16)
InChIKeyAGUKKJKHDIHOPT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds1

About 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one

7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 82172426) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
PubChem CID82172426
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)C(C)(C)C)c1)NC(=O)C2
InChIInChI=1S/C14H19NO2/c1-8-5-9-7-11(16)15-12(9)10(6-8)13(17)14(2,3)4/h5-6,13,17H,7H2,1-4H3,(H,15,16)
InChIKeyAGUKKJKHDIHOPT-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 82172433
7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426
2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
CID 117364760
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
5-[hydroxy-(2-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172747

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one (CID 82172426) is 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one is Cc1cc2c(c(C(O)C(C)(C)C)c1)NC(=O)C2.
What is the InChIKey of 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is AGUKKJKHDIHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-5-9-7-11(16)15-12(9)10(6-8)13(17)14(2,3)4/h5-6,13,17H,7H2,1-4H3,(H,15,16).
What are the key properties of 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one?
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).