5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile

C12H15N3 — CID 141299224

IUPAC5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile
SMILESCC(N)Cc1ccc2c(c1)CCN2C#N
InChIInChI=1S/C12H15N3/c1-9(14)6-10-2-3-12-11(7-10)4-5-15(12)8-13/h2-3,7,9H,4-6,14H2,1H3
InChIKeySJLYGFDLRAIQOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.42
Rot. Bonds2

About 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile

5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile (PubChem CID 141299224) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile.

Molecular Properties

Compound Name5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile
PubChem CID141299224
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile
SMILESCC(N)Cc1ccc2c(c1)CCN2C#N
InChIInChI=1S/C12H15N3/c1-9(14)6-10-2-3-12-11(7-10)4-5-15(12)8-13/h2-3,7,9H,4-6,14H2,1H3
InChIKeySJLYGFDLRAIQOX-UHFFFAOYSA-N
XLogP1.42
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile?
The IUPAC name of 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile (CID 141299224) is 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile.
What is the SMILES notation for 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile?
The canonical SMILES for 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile is CC(N)Cc1ccc2c(c1)CCN2C#N.
What is the InChIKey of 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile?
The InChIKey is SJLYGFDLRAIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(14)6-10-2-3-12-11(7-10)4-5-15(12)8-13/h2-3,7,9H,4-6,14H2,1H3.
What are the key properties of 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile?
5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-2,3-dihydroindole-1-carbonitrile is sourced from PubChem (CID 141299224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).