2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile

C14H22N2 — CID 65255282

IUPAC2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile
SMILESCc1cn(CCCC(C)(C)C#N)c(C)c1C
InChIInChI=1S/C14H22N2/c1-11-9-16(13(3)12(11)2)8-6-7-14(4,5)10-15/h9H,6-8H2,1-5H3
InChIKeyKFFNPVHNIGILJL-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds4

About 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile

2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile (PubChem CID 65255282) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile
PubChem CID65255282
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile
SMILESCc1cn(CCCC(C)(C)C#N)c(C)c1C
InChIInChI=1S/C14H22N2/c1-11-9-16(13(3)12(11)2)8-6-7-14(4,5)10-15/h9H,6-8H2,1-5H3
InChIKeyKFFNPVHNIGILJL-UHFFFAOYSA-N
XLogP3.74
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile (CID 65255282) is 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile is Cc1cn(CCCC(C)(C)C#N)c(C)c1C.
What is the InChIKey of 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile?
The InChIKey is KFFNPVHNIGILJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-9-16(13(3)12(11)2)8-6-7-14(4,5)10-15/h9H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile?
2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile has a molecular weight of 218.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,3,4-trimethylpyrrol-1-yl)pentanenitrile is sourced from PubChem (CID 65255282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).