1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one

C15H19NO2 — CID 102199439

IUPAC1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one
SMILESCN1C(=O)C(C)(CC2CCCO2)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-15(10-11-6-5-9-18-11)12-7-3-4-8-13(12)16(2)14(15)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyTYMCVGRCVDTBBA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.49
Rot. Bonds2

About 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one

1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one (PubChem CID 102199439) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one
PubChem CID102199439
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one
SMILESCN1C(=O)C(C)(CC2CCCO2)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-15(10-11-6-5-9-18-11)12-7-3-4-8-13(12)16(2)14(15)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyTYMCVGRCVDTBBA-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one?
The IUPAC name of 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one (CID 102199439) is 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one.
What is the SMILES notation for 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one?
The canonical SMILES for 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one is CN1C(=O)C(C)(CC2CCCO2)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one?
The InChIKey is TYMCVGRCVDTBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(10-11-6-5-9-18-11)12-7-3-4-8-13(12)16(2)14(15)17/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one?
1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-(oxolan-2-ylmethyl)indol-2-one is sourced from PubChem (CID 102199439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).