cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile

C17H12N4 — CID 135061972

IUPACcis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
SMILESC=C[C@@H]1CC(C#N)(C#N)[C@@H](c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C17H12N4/c1-2-14-8-16(9-18,10-19)15(17(14,11-20)12-21)13-6-4-3-5-7-13/h2-7,14-15H,1,8H2/t14-,15-/m1/s1
InChIKeyIPFFDQDJBDPGNE-HUUCEWRRSA-N
MW272.31 g/mol
LogP3.04
Rot. Bonds2

About cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile

cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile (PubChem CID 135061972) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile.

Molecular Properties

Compound Namecis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
PubChem CID135061972
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Namecis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
SMILESC=C[C@@H]1CC(C#N)(C#N)[C@@H](c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C17H12N4/c1-2-14-8-16(9-18,10-19)15(17(14,11-20)12-21)13-6-4-3-5-7-13/h2-7,14-15H,1,8H2/t14-,15-/m1/s1
InChIKeyIPFFDQDJBDPGNE-HUUCEWRRSA-N
XLogP3.04
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)cyclopropane-1,1-dicarbonitrile
CID 156779666
(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile
CID 11833595
cis-(1S,2R)-1-(benzhydrylideneamino)-2-ethenylcyclopropane-1-carbonitrile
CID 11065586
2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
CID 10851777
(3aS,8bS)-5-bromo-3-ethenyl-3a-nitro-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1,1-dicarbonitrile
CID 135035158
1-amino-2-phenylcyclopropane-1-carbonitrile
CID 70611404
4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
CID 10752411
2,2,3,3,5,5,6,6-octafluoro-4-phenylcyclohexane-1,1-dicarbonitrile
CID 170991621
2-ethenyl-3-hydroxycyclobutane-1,1-dicarbonitrile
CID 130145611
5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile
CID 138968738
methyl 2,2-dicyano-3-phenylcyclobutane-1-carboxylate
CID 85085864
2-phenyloxirane;3-prop-2-enoxyprop-1-ene
CID 87729483

Frequently Asked Questions

What is the IUPAC name of cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile?
The IUPAC name of cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile (CID 135061972) is cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile.
What is the SMILES notation for cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile?
The canonical SMILES for cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile is C=C[C@@H]1CC(C#N)(C#N)[C@@H](c2ccccc2)C1(C#N)C#N.
What is the InChIKey of cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile?
The InChIKey is IPFFDQDJBDPGNE-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-14-8-16(9-18,10-19)15(17(14,11-20)12-21)13-6-4-3-5-7-13/h2-7,14-15H,1,8H2/t14-,15-/m1/s1.
What are the key properties of cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile?
cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile is sourced from PubChem (CID 135061972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).