(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile

C11H11N3O — CID 2016509

IUPAC(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile
SMILESCCN[C@@]1(C#N)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11N3O/c1-2-13-11(7-12)8-5-3-4-6-9(8)14-10(11)15/h3-6,13H,2H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyOKXITINTWLUKLJ-LLVKDONJSA-N
MW201.23 g/mol
LogP0.97
Rot. Bonds2

About (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile

(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile (PubChem CID 2016509) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile
PubChem CID2016509
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile
SMILESCCN[C@@]1(C#N)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11N3O/c1-2-13-11(7-12)8-5-3-4-6-9(8)14-10(11)15/h3-6,13H,2H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyOKXITINTWLUKLJ-LLVKDONJSA-N
XLogP0.97
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile 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 (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile?
The IUPAC name of (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile (CID 2016509) is (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile.
What is the SMILES notation for (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile?
The canonical SMILES for (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile is CCN[C@@]1(C#N)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile?
The InChIKey is OKXITINTWLUKLJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-13-11(7-12)8-5-3-4-6-9(8)14-10(11)15/h3-6,13H,2H2,1H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile?
(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile is sourced from PubChem (CID 2016509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).