4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile

C14H12N4 — CID 114001765

IUPAC4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(NC2CCCC2C#N)cc1C#N
InChIInChI=1S/C14H12N4/c15-7-10-4-5-13(6-12(10)9-17)18-14-3-1-2-11(14)8-16/h4-6,11,14,18H,1-3H2
InChIKeyWTTMFCQNFHZZDT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.53
Rot. Bonds2

About 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile

4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile (PubChem CID 114001765) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile
PubChem CID114001765
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(NC2CCCC2C#N)cc1C#N
InChIInChI=1S/C14H12N4/c15-7-10-4-5-13(6-12(10)9-17)18-14-3-1-2-11(14)8-16/h4-6,11,14,18H,1-3H2
InChIKeyWTTMFCQNFHZZDT-UHFFFAOYSA-N
XLogP2.53
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(1,3-benzodioxol-5-ylamino)cyclopentane-1-carbonitrile
CID 62741289
2-(4-methoxy-3-methylanilino)cyclohexane-1-carbonitrile
CID 62741164
2-anilinocyclohexane-1-carbonitrile
CID 62741639
2-(3,4,5-trifluoroanilino)cyclopentane-1-carbonitrile
CID 62810465
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 62743306
2-(3-bromo-4-fluoroanilino)cycloheptane-1-carbonitrile
CID 104777727
2-anilinocycloheptane-1-carbonitrile
CID 62741640
4-[(4-hydroxyoxolan-3-yl)amino]benzene-1,2-dicarbonitrile
CID 107789252
2-(3-chloroanilino)cycloheptane-1-carbonitrile
CID 62743508
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
CID 62742212

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile (CID 114001765) is 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile is N#Cc1ccc(NC2CCCC2C#N)cc1C#N.
What is the InChIKey of 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is WTTMFCQNFHZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-7-10-4-5-13(6-12(10)9-17)18-14-3-1-2-11(14)8-16/h4-6,11,14,18H,1-3H2.
What are the key properties of 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile?
4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanocyclopentyl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 114001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).