[(E)-3-phenylbut-2-en-2-yl]diazene

C10H12N2 — CID 123278445

IUPAC[(E)-3-phenylbut-2-en-2-yl]diazene
SMILES[H]/N=N/C(C)=C(\C)c1ccccc1
InChIInChI=1S/C10H12N2/c1-8(9(2)12-11)10-6-4-3-5-7-10/h3-7,11H,1-2H3/b9-8+,12-11+
InChIKeyNKNAJQCVVRWQLI-MVKOLZDDSA-N
MW160.22 g/mol
LogP3.47
Rot. Bonds2

About [(E)-3-phenylbut-2-en-2-yl]diazene

[(E)-3-phenylbut-2-en-2-yl]diazene (PubChem CID 123278445) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [(E)-3-phenylbut-2-en-2-yl]diazene.

Molecular Properties

Compound Name[(E)-3-phenylbut-2-en-2-yl]diazene
PubChem CID123278445
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name[(E)-3-phenylbut-2-en-2-yl]diazene
SMILES[H]/N=N/C(C)=C(\C)c1ccccc1
InChIInChI=1S/C10H12N2/c1-8(9(2)12-11)10-6-4-3-5-7-10/h3-7,11H,1-2H3/b9-8+,12-11+
InChIKeyNKNAJQCVVRWQLI-MVKOLZDDSA-N
XLogP3.47
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-3-phenylbut-2-enal
CID 13359373
N'-amino-N-iminobenzenecarboximidamide;methane
CID 143158063
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
ethane;1-phenylethanimine
CID 91121262
(Z)-N-[(Z)-3-phenylbut-2-en-2-yl]pent-3-en-2-imine
CID 123710629
[4-[diazenyl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 136749704
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
1-ethyl-3-imino-1-phenylurea
CID 70142844
CID 168921879
CID 168921879
benzoic acid;ethoxydiazene
CID 172820876
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylbut-2-en-2-yl]diazene?
The IUPAC name of [(E)-3-phenylbut-2-en-2-yl]diazene (CID 123278445) is [(E)-3-phenylbut-2-en-2-yl]diazene.
What is the SMILES notation for [(E)-3-phenylbut-2-en-2-yl]diazene?
The canonical SMILES for [(E)-3-phenylbut-2-en-2-yl]diazene is [H]/N=N/C(C)=C(\C)c1ccccc1.
What is the InChIKey of [(E)-3-phenylbut-2-en-2-yl]diazene?
The InChIKey is NKNAJQCVVRWQLI-MVKOLZDDSA-N. The full InChI is InChI=1S/C10H12N2/c1-8(9(2)12-11)10-6-4-3-5-7-10/h3-7,11H,1-2H3/b9-8+,12-11+.
What are the key properties of [(E)-3-phenylbut-2-en-2-yl]diazene?
[(E)-3-phenylbut-2-en-2-yl]diazene has a molecular weight of 160.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylbut-2-en-2-yl]diazene is sourced from PubChem (CID 123278445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).