6-amino-1-cyclopropyl-3,3-dimethylindol-2-one

C13H16N2O — CID 118415185

IUPAC6-amino-1-cyclopropyl-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(N)ccc21
InChIInChI=1S/C13H16N2O/c1-13(2)10-6-3-8(14)7-11(10)15(12(13)16)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyLLCRRJZICROLPU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds1

About 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one

6-amino-1-cyclopropyl-3,3-dimethylindol-2-one (PubChem CID 118415185) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-3,3-dimethylindol-2-one
PubChem CID118415185
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-amino-1-cyclopropyl-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(C2CC2)c2cc(N)ccc21
InChIInChI=1S/C13H16N2O/c1-13(2)10-6-3-8(14)7-11(10)15(12(13)16)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyLLCRRJZICROLPU-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-1-cyclopropyl-3,3-dimethylindol-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-amino-1-cyclopropyl-3,3-dimethylindol-2-one?
The IUPAC name of 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one (CID 118415185) is 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one.
What is the SMILES notation for 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one?
The canonical SMILES for 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one is CC1(C)C(=O)N(C2CC2)c2cc(N)ccc21.
What is the InChIKey of 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one?
The InChIKey is LLCRRJZICROLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2)10-6-3-8(14)7-11(10)15(12(13)16)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3.
What are the key properties of 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one?
6-amino-1-cyclopropyl-3,3-dimethylindol-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-3,3-dimethylindol-2-one is sourced from PubChem (CID 118415185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).