1-phenylbut-3-enylhydrazine

C10H14N2 — CID 105199312

IUPAC1-phenylbut-3-enylhydrazine
SMILESC=CCC(NN)c1ccccc1
InChIInChI=1S/C10H14N2/c1-2-6-10(12-11)9-7-4-3-5-8-9/h2-5,7-8,10,12H,1,6,11H2
InChIKeyKQLTUCIUYWWZKI-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.77
Rot. Bonds4

About 1-phenylbut-3-enylhydrazine

1-phenylbut-3-enylhydrazine (PubChem CID 105199312) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-phenylbut-3-enylhydrazine.

Molecular Properties

Compound Name1-phenylbut-3-enylhydrazine
PubChem CID105199312
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-phenylbut-3-enylhydrazine
SMILESC=CCC(NN)c1ccccc1
InChIInChI=1S/C10H14N2/c1-2-6-10(12-11)9-7-4-3-5-8-9/h2-5,7-8,10,12H,1,6,11H2
InChIKeyKQLTUCIUYWWZKI-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
CID 105269810
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895
1-(3,5-dibromophenyl)but-3-enylhydrazine
CID 107978932
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
N-(1-phenylbut-3-enyl)furan-2-amine chloride
CID 53312740
1-(2,3-dihydro-1H-inden-5-yl)but-3-enylhydrazine
CID 105289620
(1S)-N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylbut-3-en-1-amine
CID 15246558
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
CID 105252780
1-(4-chloro-3-fluorophenyl)but-3-enylhydrazine
CID 107996762
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718

Frequently Asked Questions

What is the IUPAC name of 1-phenylbut-3-enylhydrazine?
The IUPAC name of 1-phenylbut-3-enylhydrazine (CID 105199312) is 1-phenylbut-3-enylhydrazine.
What is the SMILES notation for 1-phenylbut-3-enylhydrazine?
The canonical SMILES for 1-phenylbut-3-enylhydrazine is C=CCC(NN)c1ccccc1.
What is the InChIKey of 1-phenylbut-3-enylhydrazine?
The InChIKey is KQLTUCIUYWWZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-10(12-11)9-7-4-3-5-8-9/h2-5,7-8,10,12H,1,6,11H2.
What are the key properties of 1-phenylbut-3-enylhydrazine?
1-phenylbut-3-enylhydrazine has a molecular weight of 162.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbut-3-enylhydrazine is sourced from PubChem (CID 105199312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).