2,3-dipropyl-1H-indole-5-carbonitrile

C15H18N2 — CID 24792655

IUPAC2,3-dipropyl-1H-indole-5-carbonitrile
SMILESCCCc1[nH]c2ccc(C#N)cc2c1CCC
InChIInChI=1S/C15H18N2/c1-3-5-12-13-9-11(10-16)7-8-15(13)17-14(12)6-4-2/h7-9,17H,3-6H2,1-2H3
InChIKeyRAHLKWTVTHEWQI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.94
Rot. Bonds4

About 2,3-dipropyl-1H-indole-5-carbonitrile

2,3-dipropyl-1H-indole-5-carbonitrile (PubChem CID 24792655) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,3-dipropyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2,3-dipropyl-1H-indole-5-carbonitrile
PubChem CID24792655
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2,3-dipropyl-1H-indole-5-carbonitrile
SMILESCCCc1[nH]c2ccc(C#N)cc2c1CCC
InChIInChI=1S/C15H18N2/c1-3-5-12-13-9-11(10-16)7-8-15(13)17-14(12)6-4-2/h7-9,17H,3-6H2,1-2H3
InChIKeyRAHLKWTVTHEWQI-UHFFFAOYSA-N
XLogP3.94
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-1H-indole-5-carbonitrile?
The IUPAC name of 2,3-dipropyl-1H-indole-5-carbonitrile (CID 24792655) is 2,3-dipropyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 2,3-dipropyl-1H-indole-5-carbonitrile?
The canonical SMILES for 2,3-dipropyl-1H-indole-5-carbonitrile is CCCc1[nH]c2ccc(C#N)cc2c1CCC.
What is the InChIKey of 2,3-dipropyl-1H-indole-5-carbonitrile?
The InChIKey is RAHLKWTVTHEWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-5-12-13-9-11(10-16)7-8-15(13)17-14(12)6-4-2/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 2,3-dipropyl-1H-indole-5-carbonitrile?
2,3-dipropyl-1H-indole-5-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 24792655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).