2,2,5,5-tetramethylcyclopentane-1-carbonitrile

C10H17N — CID 14028849

IUPAC2,2,5,5-tetramethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCC(C)(C)C1C#N
InChIInChI=1S/C10H17N/c1-9(2)5-6-10(3,4)8(9)7-11/h8H,5-6H2,1-4H3
InChIKeyGITUFTUQIKDSAW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds

About 2,2,5,5-tetramethylcyclopentane-1-carbonitrile

2,2,5,5-tetramethylcyclopentane-1-carbonitrile (PubChem CID 14028849) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,2,5,5-tetramethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,2,5,5-tetramethylcyclopentane-1-carbonitrile
PubChem CID14028849
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,2,5,5-tetramethylcyclopentane-1-carbonitrile
SMILESCC1(C)CCC(C)(C)C1C#N
InChIInChI=1S/C10H17N/c1-9(2)5-6-10(3,4)8(9)7-11/h8H,5-6H2,1-4H3
InChIKeyGITUFTUQIKDSAW-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylcyclopentane-1-carbonitrile?
The IUPAC name of 2,2,5,5-tetramethylcyclopentane-1-carbonitrile (CID 14028849) is 2,2,5,5-tetramethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2,2,5,5-tetramethylcyclopentane-1-carbonitrile?
The canonical SMILES for 2,2,5,5-tetramethylcyclopentane-1-carbonitrile is CC1(C)CCC(C)(C)C1C#N.
What is the InChIKey of 2,2,5,5-tetramethylcyclopentane-1-carbonitrile?
The InChIKey is GITUFTUQIKDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)5-6-10(3,4)8(9)7-11/h8H,5-6H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethylcyclopentane-1-carbonitrile?
2,2,5,5-tetramethylcyclopentane-1-carbonitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 14028849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).