5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile

C15H20N2 — CID 65257292

IUPAC5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCc2ccccc21
InChIInChI=1S/C15H20N2/c1-15(2,12-16)9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyACCDXJXRLXRWEF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.38
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile

5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65257292) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65257292
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCc2ccccc21
InChIInChI=1S/C15H20N2/c1-15(2,12-16)9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-7H,5,8-11H2,1-2H3
InChIKeyACCDXJXRLXRWEF-UHFFFAOYSA-N
XLogP3.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)pentanenitrile
CID 65255369
5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106802798
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
CID 106802800
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280
1-butyl-2,3-dihydroindole
CID 4167209
2,2-dimethyl-5-(2-methyl-2,3-dihydroindol-1-yl)pentanenitrile
CID 65257939
2-amino-5-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-ol
CID 64797597
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
6-(2,3-dihydroindol-1-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797124
2,2-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanenitrile
CID 65251831

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile (CID 65257292) is 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is ACCDXJXRLXRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,12-16)9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-7H,5,8-11H2,1-2H3.
What are the key properties of 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile?
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 228.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).