2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile

C15H14N2 — CID 11138716

IUPAC2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCCC1/C=C/c1ccccc1
InChIInChI=1S/C15H14N2/c16-11-15(12-17)10-4-7-14(15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10H2/b9-8+
InChIKeyREWMVPSXFIFAPX-CMDGGOBGSA-N
MW222.29 g/mol
LogP3.53
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile

2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile (PubChem CID 11138716) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
PubChem CID11138716
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCCC1/C=C/c1ccccc1
InChIInChI=1S/C15H14N2/c16-11-15(12-17)10-4-7-14(15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10H2/b9-8+
InChIKeyREWMVPSXFIFAPX-CMDGGOBGSA-N
XLogP3.53
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
CID 10851777
cis-(1S,3R)-1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylic acid
CID 7054115
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
1,2,2-trimethyl-3-(2-phenylethenyl)cyclopentane-1-carboxylate
CID 4660169
trans-(1S,3S)-1,2,2-trimethyl-3-[(Z)-2-phenylethenyl]cyclopentane-1-carboxylate
CID 7324820
2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
CID 77037858
2-[(E)-2-phenylethenyl]thiolane
CID 175715448
2-(2-phenylethenyl)pyrrolidine
CID 3705120
[(E)-2-[(1R,2R)-2-methyl-2-propylcyclopropyl]ethenyl]benzene
CID 10821924
(E)-2-cyclopropyl-4-phenylbut-3-enenitrile
CID 102130816
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
CID 138980021

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile?
The IUPAC name of 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile (CID 11138716) is 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile?
The canonical SMILES for 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile is N#CC1(C#N)CCCC1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile?
The InChIKey is REWMVPSXFIFAPX-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2/c16-11-15(12-17)10-4-7-14(15)9-8-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10H2/b9-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile?
2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile is sourced from PubChem (CID 11138716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).