4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one

C12H16N2O — CID 70333765

IUPAC4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCN(C)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-4-3-5-11-10(9)8-12(15)13-11/h3-5H,6-8H2,1-2H3,(H,13,15)
InChIKeySOVQIOLHUMEMBA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.29
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one

4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 70333765) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID70333765
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCN(C)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-4-3-5-11-10(9)8-12(15)13-11/h3-5H,6-8H2,1-2H3,(H,13,15)
InChIKeySOVQIOLHUMEMBA-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one (CID 70333765) is 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one is CN(C)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is SOVQIOLHUMEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)7-6-9-4-3-5-11-10(9)8-12(15)13-11/h3-5H,6-8H2,1-2H3,(H,13,15).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one?
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 70333765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).