2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile

C16H26N2O — CID 79543633

IUPAC2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile
SMILESCC(C)(C#N)CCCN1CCCC1C1CCCC1=O
InChIInChI=1S/C16H26N2O/c1-16(2,12-17)9-5-11-18-10-4-7-14(18)13-6-3-8-15(13)19/h13-14H,3-11H2,1-2H3
InChIKeyZFONWEMIINGIPH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds5

About 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile

2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 79543633) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID79543633
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile
SMILESCC(C)(C#N)CCCN1CCCC1C1CCCC1=O
InChIInChI=1S/C16H26N2O/c1-16(2,12-17)9-5-11-18-10-4-7-14(18)13-6-3-8-15(13)19/h13-14H,3-11H2,1-2H3
InChIKeyZFONWEMIINGIPH-UHFFFAOYSA-N
XLogP3.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile (CID 79543633) is 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile is CC(C)(C#N)CCCN1CCCC1C1CCCC1=O.
What is the InChIKey of 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is ZFONWEMIINGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,12-17)9-5-11-18-10-4-7-14(18)13-6-3-8-15(13)19/h13-14H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile?
2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 262.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 79543633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).