6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one

C14H20N2O3 — CID 168595777

IUPAC6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(NCC(O)CO)cc21
InChIInChI=1S/C14H20N2O3/c1-14(2)11-5-4-9(15-7-10(18)8-17)6-12(11)16(3)13(14)19/h4-6,10,15,17-18H,7-8H2,1-3H3
InChIKeyIMIQXIPHMSZUFG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.71
Rot. Bonds4

About 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one

6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one (PubChem CID 168595777) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
PubChem CID168595777
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(NCC(O)CO)cc21
InChIInChI=1S/C14H20N2O3/c1-14(2)11-5-4-9(15-7-10(18)8-17)6-12(11)16(3)13(14)19/h4-6,10,15,17-18H,7-8H2,1-3H3
InChIKeyIMIQXIPHMSZUFG-UHFFFAOYSA-N
XLogP0.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one (CID 168595777) is 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2ccc(NCC(O)CO)cc21.
What is the InChIKey of 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one?
The InChIKey is IMIQXIPHMSZUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)11-5-4-9(15-7-10(18)8-17)6-12(11)16(3)13(14)19/h4-6,10,15,17-18H,7-8H2,1-3H3.
What are the key properties of 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one?
6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 168595777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).