1,2,2-trimethylcyclopentane-1,3-dicarbonitrile

C10H14N2 — CID 14167696

IUPAC1,2,2-trimethylcyclopentane-1,3-dicarbonitrile
SMILESCC1(C#N)CCC(C#N)C1(C)C
InChIInChI=1S/C10H14N2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8H,4-5H2,1-3H3
InChIKeyZKZMIYKCFLBKLV-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.48
Rot. Bonds

About 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile

1,2,2-trimethylcyclopentane-1,3-dicarbonitrile (PubChem CID 14167696) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile.

Molecular Properties

Compound Name1,2,2-trimethylcyclopentane-1,3-dicarbonitrile
PubChem CID14167696
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,2,2-trimethylcyclopentane-1,3-dicarbonitrile
SMILESCC1(C#N)CCC(C#N)C1(C)C
InChIInChI=1S/C10H14N2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8H,4-5H2,1-3H3
InChIKeyZKZMIYKCFLBKLV-UHFFFAOYSA-N
XLogP2.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
3,3-Dimethylcyclopentanecarbonitrile
CID 22992861
Cyclopentylmalononitrile
CID 549604
2-(3-Fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
CID 15459077
2-[(1R,3S)-3-fluoro-2,2,3-trimethylcyclopentyl]acetonitrile
CID 177598404
1,1,2,2-Tetracyanocyclopentane
CID 12974839
2-(2-Ethyl-1,2-dimethylcyclopentyl)acetonitrile
CID 129216276
2-(1,2,2-Trimethylcyclopentyl)propanenitrile
CID 129216319
2-Cyclopentyl-2-methylpropanedinitrile
CID 101397763
2,5-Bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
CID 134855916
1-(2-Fluoroethyl)-3-methylcyclopentane-1-carbonitrile
CID 130514224
2-(2,3-Dimethylcyclopentyl)acetonitrile
CID 283880

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile?
The IUPAC name of 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile (CID 14167696) is 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile.
What is the SMILES notation for 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile?
The canonical SMILES for 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile is CC1(C#N)CCC(C#N)C1(C)C.
What is the InChIKey of 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile?
The InChIKey is ZKZMIYKCFLBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8H,4-5H2,1-3H3.
What are the key properties of 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile?
1,2,2-trimethylcyclopentane-1,3-dicarbonitrile has a molecular weight of 162.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylcyclopentane-1,3-dicarbonitrile is sourced from PubChem (CID 14167696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).