2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile

C14H10N6 — CID 134855916

IUPAC2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
SMILESCC1(C(C#N)C#N)CCC(C(C#N)C#N)C1(C#N)C#N
InChIInChI=1S/C14H10N6/c1-13(11(6-17)7-18)3-2-12(10(4-15)5-16)14(13,8-19)9-20/h10-12H,2-3H2,1H3
InChIKeyYSZROVDFYXILJZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.76
Rot. Bonds2

About 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile

2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile (PubChem CID 134855916) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
PubChem CID134855916
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile
SMILESCC1(C(C#N)C#N)CCC(C(C#N)C#N)C1(C#N)C#N
InChIInChI=1S/C14H10N6/c1-13(11(6-17)7-18)3-2-12(10(4-15)5-16)14(13,8-19)9-20/h10-12H,2-3H2,1H3
InChIKeyYSZROVDFYXILJZ-UHFFFAOYSA-N
XLogP1.76
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
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
(1S,3aR,6aR)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1-carbonitrile
CID 102342709
2-(2,3-Dimethylcyclopentyl)acetonitrile
CID 283880
trans-(3R,4R)-1-(cyanomethyl)-3,4-dimethylcyclopentane-1-carbonitrile
CID 12970149
3-Methylcyclopentane-1,1,2,2-tetracarbonitrile
CID 12974835
2,2,5,5-Tetramethylcyclopentane-1-carbonitrile
CID 14028849

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile?
The IUPAC name of 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile (CID 134855916) is 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile.
What is the SMILES notation for 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile?
The canonical SMILES for 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile is CC1(C(C#N)C#N)CCC(C(C#N)C#N)C1(C#N)C#N.
What is the InChIKey of 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile?
The InChIKey is YSZROVDFYXILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-13(11(6-17)7-18)3-2-12(10(4-15)5-16)14(13,8-19)9-20/h10-12H,2-3H2,1H3.
What are the key properties of 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile?
2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile has a molecular weight of 262.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(dicyanomethyl)-2-methylcyclopentane-1,1-dicarbonitrile is sourced from PubChem (CID 134855916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).