2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile

C20H16N2O — CID 10851777

IUPAC2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
SMILESN#CC1(C#N)C(/C=C/c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C20H16N2O/c21-14-20(15-22)18(12-11-16-7-3-1-4-8-16)13-23-19(20)17-9-5-2-6-10-17/h1-12,18-19H,13H2/b12-11+
InChIKeyKEALGWQUCZWCBB-VAWYXSNFSA-N
MW300.36 g/mol
LogP4.12
Rot. Bonds3

About 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile

2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile (PubChem CID 10851777) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile.

Molecular Properties

Compound Name2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
PubChem CID10851777
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
SMILESN#CC1(C#N)C(/C=C/c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C20H16N2O/c21-14-20(15-22)18(12-11-16-7-3-1-4-8-16)13-23-19(20)17-9-5-2-6-10-17/h1-12,18-19H,13H2/b12-11+
InChIKeyKEALGWQUCZWCBB-VAWYXSNFSA-N
XLogP4.12
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile
CID 11833595
2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
CID 11138716
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
CID 135061972
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
CID 10752411
(2R,4R)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 92532420
(2S,4S)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 93475636
N-[2-[(E)-2-phenylethenyl]-1,3-dioxan-5-yl]benzamide
CID 11312900

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile?
The IUPAC name of 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile (CID 10851777) is 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile.
What is the SMILES notation for 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile?
The canonical SMILES for 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile is N#CC1(C#N)C(/C=C/c2ccccc2)COC1c1ccccc1.
What is the InChIKey of 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile?
The InChIKey is KEALGWQUCZWCBB-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H16N2O/c21-14-20(15-22)18(12-11-16-7-3-1-4-8-16)13-23-19(20)17-9-5-2-6-10-17/h1-12,18-19H,13H2/b12-11+.
What are the key properties of 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile?
2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile is sourced from PubChem (CID 10851777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).