4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile

C16H24N2 — CID 70985000

IUPAC4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile
SMILESN#CC1CC(CCC2CCCCCC2)CC1C#N
InChIInChI=1S/C16H24N2/c17-11-15-9-14(10-16(15)12-18)8-7-13-5-3-1-2-4-6-13/h13-16H,1-10H2
InChIKeyCLDYERXSOKRIOL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.43
Rot. Bonds3

About 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile

4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile (PubChem CID 70985000) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile
PubChem CID70985000
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile
SMILESN#CC1CC(CCC2CCCCCC2)CC1C#N
InChIInChI=1S/C16H24N2/c17-11-15-9-14(10-16(15)12-18)8-7-13-5-3-1-2-4-6-13/h13-16H,1-10H2
InChIKeyCLDYERXSOKRIOL-UHFFFAOYSA-N
XLogP4.43
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile?
The IUPAC name of 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile (CID 70985000) is 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile.
What is the SMILES notation for 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile?
The canonical SMILES for 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile is N#CC1CC(CCC2CCCCCC2)CC1C#N.
What is the InChIKey of 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile?
The InChIKey is CLDYERXSOKRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-11-15-9-14(10-16(15)12-18)8-7-13-5-3-1-2-4-6-13/h13-16H,1-10H2.
What are the key properties of 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile?
4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile has a molecular weight of 244.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cycloheptylethyl)cyclopentane-1,2-dicarbonitrile is sourced from PubChem (CID 70985000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).