(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile

C14H11BrN2O — CID 11833595

IUPAC(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile
SMILESC=C[C@H]1CO[C@H](c2ccc(Br)cc2)C1(C#N)C#N
InChIInChI=1S/C14H11BrN2O/c1-2-11-7-18-13(14(11,8-16)9-17)10-3-5-12(15)6-4-10/h2-6,11,13H,1,7H2/t11-,13+/m0/s1
InChIKeyLUIZLPHYCNNOCE-WCQYABFASA-N
MW303.16 g/mol
LogP3.36
Rot. Bonds2

About (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile

(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile (PubChem CID 11833595) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile.

Molecular Properties

Compound Name(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile
PubChem CID11833595
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile
SMILESC=C[C@H]1CO[C@H](c2ccc(Br)cc2)C1(C#N)C#N
InChIInChI=1S/C14H11BrN2O/c1-2-11-7-18-13(14(11,8-16)9-17)10-3-5-12(15)6-4-10/h2-6,11,13H,1,7H2/t11-,13+/m0/s1
InChIKeyLUIZLPHYCNNOCE-WCQYABFASA-N
XLogP3.36
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
CID 10851777
cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
CID 135061972
(2S)-2-(4-bromophenyl)cyclopropane-1,1-dicarbonitrile
CID 101078615
3-(4-bromophenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3349632
1-[(2S,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]-4-bromobenzene
CID 10924264
1-(4-bromophenyl)-3-methylidenecyclobutane-1-carbonitrile
CID 166161953
(4S,5S)-4-(4-bromophenyl)-5-ethenyl-2,2,5-trimethyl-1,3-dioxane
CID 139123245
2-[2-(4-bromophenyl)-1,3-dioxolan-4-yl]acetonitrile
CID 82134116
(3S,6R)-3,6-bis(4-bromophenyl)piperazine-2,2,5,5-tetracarbonitrile
CID 14813941
(2Z,5R)-2-[1-(4-bromophenyl)ethylidene]-5-ethenyloxolane-3,3-dicarbonitrile
CID 139189475
(2R,3R)-3-(4-bromophenyl)oxirane-2-carbonitrile
CID 102332905
(2S,3S)-3-(4-bromophenyl)oxirane-2-carbonitrile
CID 102332906

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile?
The IUPAC name of (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile (CID 11833595) is (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile.
What is the SMILES notation for (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile?
The canonical SMILES for (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile is C=C[C@H]1CO[C@H](c2ccc(Br)cc2)C1(C#N)C#N.
What is the InChIKey of (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile?
The InChIKey is LUIZLPHYCNNOCE-WCQYABFASA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-2-11-7-18-13(14(11,8-16)9-17)10-3-5-12(15)6-4-10/h2-6,11,13H,1,7H2/t11-,13+/m0/s1.
What are the key properties of (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile?
(2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-bromophenyl)-4-ethenyloxolane-3,3-dicarbonitrile is sourced from PubChem (CID 11833595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).