2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile

C15H26N2 — CID 83227821

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile
SMILESCCC1CCC(C)N1C1CCCCCC1C#N
InChIInChI=1S/C15H26N2/c1-3-14-10-9-12(2)17(14)15-8-6-4-5-7-13(15)11-16/h12-15H,3-10H2,1-2H3
InChIKeyOUMDGFIGZIDMFI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.72
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile

2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile (PubChem CID 83227821) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile
PubChem CID83227821
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile
SMILESCCC1CCC(C)N1C1CCCCCC1C#N
InChIInChI=1S/C15H26N2/c1-3-14-10-9-12(2)17(14)15-8-6-4-5-7-13(15)11-16/h12-15H,3-10H2,1-2H3
InChIKeyOUMDGFIGZIDMFI-UHFFFAOYSA-N
XLogP3.72
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile (CID 83227821) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile is CCC1CCC(C)N1C1CCCCCC1C#N.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile?
The InChIKey is OUMDGFIGZIDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-14-10-9-12(2)17(14)15-8-6-4-5-7-13(15)11-16/h12-15H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile?
2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 83227821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).