5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one

C13H18N2O3 — CID 168596347

IUPAC5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(NCC(O)CO)cc21
InChIInChI=1S/C13H18N2O3/c1-13(2)10-5-8(14-6-9(17)7-16)3-4-11(10)15-12(13)18/h3-5,9,14,16-17H,6-7H2,1-2H3,(H,15,18)
InChIKeyJTDWTLMXXAGDRG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds4

About 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one

5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one (PubChem CID 168596347) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
PubChem CID168596347
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(NCC(O)CO)cc21
InChIInChI=1S/C13H18N2O3/c1-13(2)10-5-8(14-6-9(17)7-16)3-4-11(10)15-12(13)18/h3-5,9,14,16-17H,6-7H2,1-2H3,(H,15,18)
InChIKeyJTDWTLMXXAGDRG-UHFFFAOYSA-N
XLogP0.68
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydroxypropylamino)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 168597522
6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one
CID 168593696
6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
CID 168595777
6-(2,3-dihydroxypropylamino)-4H-1,4-benzoxazin-3-one
CID 115121906
6-[(3-chloro-2-hydroxypropyl)amino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168640091
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
CID 80500330
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
CID 110618671
(2R)-3-(4-bromo-3-methylanilino)propane-1,2-diol
CID 70935022
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one (CID 168596347) is 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(NCC(O)CO)cc21.
What is the InChIKey of 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is JTDWTLMXXAGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)10-5-8(14-6-9(17)7-16)3-4-11(10)15-12(13)18/h3-5,9,14,16-17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one?
5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 168596347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).