(3R)-3-amino-3-ethenyl-1H-indol-2-one

C10H10N2O — CID 130731413

IUPAC(3R)-3-amino-3-ethenyl-1H-indol-2-one
SMILESC=C[C@]1(N)C(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-10(11)7-5-3-4-6-8(7)12-9(10)13/h2-6H,1,11H2,(H,12,13)/t10-/m1/s1
InChIKeyXECUUIWIQMLDGK-SNVBAGLBSA-N
MW174.20 g/mol
LogP0.98
Rot. Bonds1

About (3R)-3-amino-3-ethenyl-1H-indol-2-one

(3R)-3-amino-3-ethenyl-1H-indol-2-one (PubChem CID 130731413) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R)-3-amino-3-ethenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-amino-3-ethenyl-1H-indol-2-one
PubChem CID130731413
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(3R)-3-amino-3-ethenyl-1H-indol-2-one
SMILESC=C[C@]1(N)C(=O)Nc2ccccc21
InChIInChI=1S/C10H10N2O/c1-2-10(11)7-5-3-4-6-8(7)12-9(10)13/h2-6H,1,11H2,(H,12,13)/t10-/m1/s1
InChIKeyXECUUIWIQMLDGK-SNVBAGLBSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-ethenyl-1H-indol-2-one?
The IUPAC name of (3R)-3-amino-3-ethenyl-1H-indol-2-one (CID 130731413) is (3R)-3-amino-3-ethenyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-amino-3-ethenyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-amino-3-ethenyl-1H-indol-2-one is C=C[C@]1(N)C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-3-amino-3-ethenyl-1H-indol-2-one?
The InChIKey is XECUUIWIQMLDGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-10(11)7-5-3-4-6-8(7)12-9(10)13/h2-6H,1,11H2,(H,12,13)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-ethenyl-1H-indol-2-one?
(3R)-3-amino-3-ethenyl-1H-indol-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-ethenyl-1H-indol-2-one is sourced from PubChem (CID 130731413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).