4-cycloheptylcyclopentane-1,2-dicarbonitrile

C14H20N2 — CID 70985037

IUPAC4-cycloheptylcyclopentane-1,2-dicarbonitrile
SMILESN#CC1CC(C2CCCCCC2)CC1C#N
InChIInChI=1S/C14H20N2/c15-9-13-7-12(8-14(13)10-16)11-5-3-1-2-4-6-11/h11-14H,1-8H2
InChIKeyDDDRZBDPZBCHIA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.65
Rot. Bonds1

About 4-cycloheptylcyclopentane-1,2-dicarbonitrile

4-cycloheptylcyclopentane-1,2-dicarbonitrile (PubChem CID 70985037) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-cycloheptylcyclopentane-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-cycloheptylcyclopentane-1,2-dicarbonitrile
PubChem CID70985037
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-cycloheptylcyclopentane-1,2-dicarbonitrile
SMILESN#CC1CC(C2CCCCCC2)CC1C#N
InChIInChI=1S/C14H20N2/c15-9-13-7-12(8-14(13)10-16)11-5-3-1-2-4-6-11/h11-14H,1-8H2
InChIKeyDDDRZBDPZBCHIA-UHFFFAOYSA-N
XLogP3.65
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylcyclopentane-1,2-dicarbonitrile?
The IUPAC name of 4-cycloheptylcyclopentane-1,2-dicarbonitrile (CID 70985037) is 4-cycloheptylcyclopentane-1,2-dicarbonitrile.
What is the SMILES notation for 4-cycloheptylcyclopentane-1,2-dicarbonitrile?
The canonical SMILES for 4-cycloheptylcyclopentane-1,2-dicarbonitrile is N#CC1CC(C2CCCCCC2)CC1C#N.
What is the InChIKey of 4-cycloheptylcyclopentane-1,2-dicarbonitrile?
The InChIKey is DDDRZBDPZBCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-9-13-7-12(8-14(13)10-16)11-5-3-1-2-4-6-11/h11-14H,1-8H2.
What are the key properties of 4-cycloheptylcyclopentane-1,2-dicarbonitrile?
4-cycloheptylcyclopentane-1,2-dicarbonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylcyclopentane-1,2-dicarbonitrile is sourced from PubChem (CID 70985037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).