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

C12H18N2O — CID 105279224

IUPAC(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine
SMILESC=CC(NN)C(OCC)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-11(14-13)12(15-4-2)10-8-6-5-7-9-10/h3,5-9,11-12,14H,1,4,13H2,2H3
InChIKeyIZZZHHVTPQGEBS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds6

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

(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine (PubChem CID 105279224) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine
PubChem CID105279224
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine
SMILESC=CC(NN)C(OCC)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-11(14-13)12(15-4-2)10-8-6-5-7-9-10/h3,5-9,11-12,14H,1,4,13H2,2H3
InChIKeyIZZZHHVTPQGEBS-UHFFFAOYSA-N
XLogP1.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2-ethoxy-1,2-diphenylethyl)hydrazine
CID 105279207
(3-cyclopropyl-1-ethoxy-1-phenylpropan-2-yl)hydrazine
CID 105279201
(1-ethoxy-1-phenyl-3-propan-2-yloxypropan-2-yl)hydrazine
CID 105279365
N-[ethoxy(phenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 175308100
(1-ethoxy-5-methyl-1-phenylhex-5-en-2-yl)hydrazine
CID 105279270
[1-(4-chlorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279275
(1-cyclopentyl-2-ethoxy-2-phenylethyl)hydrazine
CID 105279234
[2-ethoxy-1-(2-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279209
[2-ethoxy-1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105279293
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
(2,2-diethoxy-1-phenylethyl)hydrazine
CID 10823027
[1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279283

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine?
The IUPAC name of (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine (CID 105279224) is (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine.
What is the SMILES notation for (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine?
The canonical SMILES for (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine is C=CC(NN)C(OCC)c1ccccc1.
What is the InChIKey of (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine?
The InChIKey is IZZZHHVTPQGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-11(14-13)12(15-4-2)10-8-6-5-7-9-10/h3,5-9,11-12,14H,1,4,13H2,2H3.
What are the key properties of (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine?
(1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine has a molecular weight of 206.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-phenylbut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105279224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).