4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one

C12H15NO2 — CID 71155097

IUPAC4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCc1c(OC(C)C)ccc2c1CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-7(2)15-11-5-4-10-9(8(11)3)6-12(14)13-10/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyONQBYRIWRFSADU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.28
Rot. Bonds2

About 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one

4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one (PubChem CID 71155097) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one
PubChem CID71155097
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCc1c(OC(C)C)ccc2c1CC(=O)N2
InChIInChI=1S/C12H15NO2/c1-7(2)15-11-5-4-10-9(8(11)3)6-12(14)13-10/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyONQBYRIWRFSADU-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one (CID 71155097) is 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one is Cc1c(OC(C)C)ccc2c1CC(=O)N2.
What is the InChIKey of 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one?
The InChIKey is ONQBYRIWRFSADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)15-11-5-4-10-9(8(11)3)6-12(14)13-10/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one?
4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 71155097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).