3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one

C13H18N2O2 — CID 114991993

IUPAC3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c2c1NC(=O)C2NCC(C)O
InChIInChI=1S/C13H18N2O2/c1-7-4-5-8(2)11-10(7)12(13(17)15-11)14-6-9(3)16/h4-5,9,12,14,16H,6H2,1-3H3,(H,15,17)
InChIKeyJHVHQNHPDQBRGD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds3

About 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one

3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 114991993) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID114991993
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c2c1NC(=O)C2NCC(C)O
InChIInChI=1S/C13H18N2O2/c1-7-4-5-8(2)11-10(7)12(13(17)15-11)14-6-9(3)16/h4-5,9,12,14,16H,6H2,1-3H3,(H,15,17)
InChIKeyJHVHQNHPDQBRGD-UHFFFAOYSA-N
XLogP1.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one (CID 114991993) is 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one is Cc1ccc(C)c2c1NC(=O)C2NCC(C)O.
What is the InChIKey of 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is JHVHQNHPDQBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7-4-5-8(2)11-10(7)12(13(17)15-11)14-6-9(3)16/h4-5,9,12,14,16H,6H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one?
3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylamino)-4,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 114991993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).