1-isocyano-4-[(E)-2-phenylethenyl]benzene

C15H11N — CID 122188192

IUPAC1-isocyano-4-[(E)-2-phenylethenyl]benzene
SMILES[C-]#[N+]c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H11N/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H/b8-7+
InChIKeyRPOSSZFFTFJCPL-BQYQJAHWSA-N
MW205.26 g/mol
LogP4.41
Rot. Bonds2

About 1-isocyano-4-[(E)-2-phenylethenyl]benzene

1-isocyano-4-[(E)-2-phenylethenyl]benzene (PubChem CID 122188192) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-isocyano-4-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-isocyano-4-[(E)-2-phenylethenyl]benzene
PubChem CID122188192
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name1-isocyano-4-[(E)-2-phenylethenyl]benzene
SMILES[C-]#[N+]c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H11N/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H/b8-7+
InChIKeyRPOSSZFFTFJCPL-BQYQJAHWSA-N
XLogP4.41
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[2-(4-isocyanophenyl)ethenyl]-10-(2-phenylethenyl)anthracene
CID 87268979
isocyanobenzene;molybdenum
CID 76711828
CID 70567885
CID 70567885
CID 70569152
CID 70569152
stilbene azide
CID 159769295
1-ethenyl-4-isocyanobenzene
CID 21191582
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-(2-phenylethenyl)aniline
CID 13265
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
formaldehyde;iron;isocyanobenzene
CID 173350643
4-(2-phenylethenyl)phenol
CID 157400568

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-4-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-isocyano-4-[(E)-2-phenylethenyl]benzene (CID 122188192) is 1-isocyano-4-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-isocyano-4-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-isocyano-4-[(E)-2-phenylethenyl]benzene is [C-]#[N+]c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-isocyano-4-[(E)-2-phenylethenyl]benzene?
The InChIKey is RPOSSZFFTFJCPL-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11N/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H/b8-7+.
What are the key properties of 1-isocyano-4-[(E)-2-phenylethenyl]benzene?
1-isocyano-4-[(E)-2-phenylethenyl]benzene has a molecular weight of 205.26 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-4-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 122188192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).