6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C13H16N2O2 — CID 43586683

IUPAC6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(c1ccc2c(c1)NC(=O)C2O)C1CC1
InChIInChI=1S/C13H16N2O2/c1-2-15(8-3-4-8)9-5-6-10-11(7-9)14-13(17)12(10)16/h5-8,12,16H,2-4H2,1H3,(H,14,17)
InChIKeyVXOCKABFXSCQNG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.66
Rot. Bonds3

About 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 43586683) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID43586683
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(c1ccc2c(c1)NC(=O)C2O)C1CC1
InChIInChI=1S/C13H16N2O2/c1-2-15(8-3-4-8)9-5-6-10-11(7-9)14-13(17)12(10)16/h5-8,12,16H,2-4H2,1H3,(H,14,17)
InChIKeyVXOCKABFXSCQNG-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-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

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 43586683) is 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CCN(c1ccc2c(c1)NC(=O)C2O)C1CC1.
What is the InChIKey of 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is VXOCKABFXSCQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-15(8-3-4-8)9-5-6-10-11(7-9)14-13(17)12(10)16/h5-8,12,16H,2-4H2,1H3,(H,14,17).
What are the key properties of 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).