3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one

C14H21N3O — CID 114989767

IUPAC3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c2c1NC(=O)C2NCCN(C)C
InChIInChI=1S/C14H21N3O/c1-9-5-6-10(2)12-11(9)13(14(18)16-12)15-7-8-17(3)4/h5-6,13,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyHTHFXBDEARMYHH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.45
Rot. Bonds4

About 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one

3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 114989767) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID114989767
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c2c1NC(=O)C2NCCN(C)C
InChIInChI=1S/C14H21N3O/c1-9-5-6-10(2)12-11(9)13(14(18)16-12)15-7-8-17(3)4/h5-6,13,15H,7-8H2,1-4H3,(H,16,18)
InChIKeyHTHFXBDEARMYHH-UHFFFAOYSA-N
XLogP1.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one (CID 114989767) is 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one is Cc1ccc(C)c2c1NC(=O)C2NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is HTHFXBDEARMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-5-6-10(2)12-11(9)13(14(18)16-12)15-7-8-17(3)4/h5-6,13,15H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one?
3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114989767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).