5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile

C15H17N3 — CID 87299091

IUPAC5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile
SMILESC#CCN1CCc2cc(C[C@@H](C)N)cc(C#N)c21
InChIInChI=1S/C15H17N3/c1-3-5-18-6-4-13-8-12(7-11(2)17)9-14(10-16)15(13)18/h1,8-9,11H,4-7,17H2,2H3/t11-/m1/s1
InChIKeyUWPSAGJUPYNTIZ-LLVKDONJSA-N
MW239.32 g/mol
LogP1.44
Rot. Bonds3

About 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile

5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile (PubChem CID 87299091) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile
PubChem CID87299091
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile
SMILESC#CCN1CCc2cc(C[C@@H](C)N)cc(C#N)c21
InChIInChI=1S/C15H17N3/c1-3-5-18-6-4-13-8-12(7-11(2)17)9-14(10-16)15(13)18/h1,8-9,11H,4-7,17H2,2H3/t11-/m1/s1
InChIKeyUWPSAGJUPYNTIZ-LLVKDONJSA-N
XLogP1.44
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-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 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile?
The IUPAC name of 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile (CID 87299091) is 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile.
What is the SMILES notation for 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile?
The canonical SMILES for 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile is C#CCN1CCc2cc(C[C@@H](C)N)cc(C#N)c21.
What is the InChIKey of 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile?
The InChIKey is UWPSAGJUPYNTIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-5-18-6-4-13-8-12(7-11(2)17)9-14(10-16)15(13)18/h1,8-9,11H,4-7,17H2,2H3/t11-/m1/s1.
What are the key properties of 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile?
5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminopropyl]-1-prop-2-ynyl-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 87299091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).