cyclopentane-1,2-dicarbonitrile

C7H8N2 — CID 19807606

IUPACcyclopentane-1,2-dicarbonitrile
SMILESN#CC1CCCC1C#N
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-3H2
InChIKeyHNBLJPIVTVJUQU-UHFFFAOYSA-N
MW120.16 g/mol
LogP1.45
Rot. Bonds

About cyclopentane-1,2-dicarbonitrile

cyclopentane-1,2-dicarbonitrile (PubChem CID 19807606) has the molecular formula C7H8N2 and a molecular weight of 120.16 g/mol. Its IUPAC name is cyclopentane-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclopentane-1,2-dicarbonitrile
PubChem CID19807606
Molecular FormulaC7H8N2
Molecular Weight120.16 g/mol
Exact Mass120.07
IUPAC Namecyclopentane-1,2-dicarbonitrile
SMILESN#CC1CCCC1C#N
InChIInChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-3H2
InChIKeyHNBLJPIVTVJUQU-UHFFFAOYSA-N
XLogP1.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
CID 50989537
cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
CID 167444944
2-[1-(2-cyanocyclopentyl)ethyl]cyclopentane-1-carbonitrile
CID 68839598
2-hydroxycyclohexane-1-carbonitrile
CID 543100
trans-(1S,2R)-2-aminocycloheptane-1-carbonitrile
CID 94580475
spiro[4.6]undecane-8,9-dicarbonitrile
CID 71228429
trans-(1R,2S)-2-aminocycloheptane-1-carbonitrile
CID 50989539
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
bis(2-hydroxycyclohexane-1-carbonitrile);platinum(2+);dichloride
CID 25004234

Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,2-dicarbonitrile?
The IUPAC name of cyclopentane-1,2-dicarbonitrile (CID 19807606) is cyclopentane-1,2-dicarbonitrile.
What is the SMILES notation for cyclopentane-1,2-dicarbonitrile?
The canonical SMILES for cyclopentane-1,2-dicarbonitrile is N#CC1CCCC1C#N.
What is the InChIKey of cyclopentane-1,2-dicarbonitrile?
The InChIKey is HNBLJPIVTVJUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-3H2.
What are the key properties of cyclopentane-1,2-dicarbonitrile?
cyclopentane-1,2-dicarbonitrile has a molecular weight of 120.16 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,2-dicarbonitrile is sourced from PubChem (CID 19807606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).