[(E)-3-phenylprop-2-enylidyne]borane

C9H7B — CID 142315973

IUPAC[(E)-3-phenylprop-2-enylidyne]borane
SMILESB#C/C=C/c1ccccc1
InChIInChI=1S/C9H7B/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
InChIKeyWJHGBEKZOYEBGH-QPJJXVBHSA-N
MW125.97 g/mol
LogP1.83
Rot. Bonds1

About [(E)-3-phenylprop-2-enylidyne]borane

[(E)-3-phenylprop-2-enylidyne]borane (PubChem CID 142315973) has the molecular formula C9H7B and a molecular weight of 125.97 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enylidyne]borane.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enylidyne]borane
PubChem CID142315973
Molecular FormulaC9H7B
Molecular Weight125.97 g/mol
Exact Mass126.06
IUPAC Name[(E)-3-phenylprop-2-enylidyne]borane
SMILESB#C/C=C/c1ccccc1
InChIInChI=1S/C9H7B/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
InChIKeyWJHGBEKZOYEBGH-QPJJXVBHSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.97
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,5Z)-6-phenylhexa-1,5-dien-3-ynyl]benzene
CID 102243742
CID 70567885
CID 70567885
CID 70569152
CID 70569152
CID 148518460
CID 148518460
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
disodium;hydride;(E)-stilbene
CID 173089328
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
hydride;rubidium(1+);stilbene
CID 173437843
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
2-[(E)-2-phenylethenyl]phenolate
CID 23105470

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enylidyne]borane?
The IUPAC name of [(E)-3-phenylprop-2-enylidyne]borane (CID 142315973) is [(E)-3-phenylprop-2-enylidyne]borane.
What is the SMILES notation for [(E)-3-phenylprop-2-enylidyne]borane?
The canonical SMILES for [(E)-3-phenylprop-2-enylidyne]borane is B#C/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enylidyne]borane?
The InChIKey is WJHGBEKZOYEBGH-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H7B/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+.
What are the key properties of [(E)-3-phenylprop-2-enylidyne]borane?
[(E)-3-phenylprop-2-enylidyne]borane has a molecular weight of 125.97 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enylidyne]borane is sourced from PubChem (CID 142315973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).