(3-methyl-1-phenylbut-3-en-2-yl)hydrazine

C11H16N2 — CID 105195365

IUPAC(3-methyl-1-phenylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(Cc1ccccc1)NN
InChIInChI=1S/C11H16N2/c1-9(2)11(13-12)8-10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3
InChIKeyFEWGTOQJZMKBDI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.64
Rot. Bonds4

About (3-methyl-1-phenylbut-3-en-2-yl)hydrazine

(3-methyl-1-phenylbut-3-en-2-yl)hydrazine (PubChem CID 105195365) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3-methyl-1-phenylbut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-1-phenylbut-3-en-2-yl)hydrazine
PubChem CID105195365
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3-methyl-1-phenylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(Cc1ccccc1)NN
InChIInChI=1S/C11H16N2/c1-9(2)11(13-12)8-10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3
InChIKeyFEWGTOQJZMKBDI-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylbut-3-en-2-yl)hydrazine?
The IUPAC name of (3-methyl-1-phenylbut-3-en-2-yl)hydrazine (CID 105195365) is (3-methyl-1-phenylbut-3-en-2-yl)hydrazine.
What is the SMILES notation for (3-methyl-1-phenylbut-3-en-2-yl)hydrazine?
The canonical SMILES for (3-methyl-1-phenylbut-3-en-2-yl)hydrazine is C=C(C)C(Cc1ccccc1)NN.
What is the InChIKey of (3-methyl-1-phenylbut-3-en-2-yl)hydrazine?
The InChIKey is FEWGTOQJZMKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)11(13-12)8-10-6-4-3-5-7-10/h3-7,11,13H,1,8,12H2,2H3.
What are the key properties of (3-methyl-1-phenylbut-3-en-2-yl)hydrazine?
(3-methyl-1-phenylbut-3-en-2-yl)hydrazine has a molecular weight of 176.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylbut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105195365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).