1-phenylmethoxybut-3-en-2-ylhydrazine

C11H16N2O — CID 131115304

IUPAC1-phenylmethoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCc1ccccc1)NN
InChIInChI=1S/C11H16N2O/c1-2-11(13-12)9-14-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyVJKLFGBZLYFETR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.22
Rot. Bonds6

About 1-phenylmethoxybut-3-en-2-ylhydrazine

1-phenylmethoxybut-3-en-2-ylhydrazine (PubChem CID 131115304) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-phenylmethoxybut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-phenylmethoxybut-3-en-2-ylhydrazine
PubChem CID131115304
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-phenylmethoxybut-3-en-2-ylhydrazine
SMILESC=CC(COCc1ccccc1)NN
InChIInChI=1S/C11H16N2O/c1-2-11(13-12)9-14-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2
InChIKeyVJKLFGBZLYFETR-UHFFFAOYSA-N
XLogP1.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.22
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'}

Analyze 1-phenylmethoxybut-3-en-2-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-benzyl-1-phenylmethoxybut-3-en-2-amine
CID 23583582
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
(E,2S,5S)-1,6-bis(phenylmethoxy)-2-N,5-N-ditritylhex-3-ene-2,5-diamine
CID 71714200
[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
CID 102578151
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxybut-3-en-2-ylhydrazine?
The IUPAC name of 1-phenylmethoxybut-3-en-2-ylhydrazine (CID 131115304) is 1-phenylmethoxybut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-phenylmethoxybut-3-en-2-ylhydrazine?
The canonical SMILES for 1-phenylmethoxybut-3-en-2-ylhydrazine is C=CC(COCc1ccccc1)NN.
What is the InChIKey of 1-phenylmethoxybut-3-en-2-ylhydrazine?
The InChIKey is VJKLFGBZLYFETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(13-12)9-14-8-10-6-4-3-5-7-10/h2-7,11,13H,1,8-9,12H2.
What are the key properties of 1-phenylmethoxybut-3-en-2-ylhydrazine?
1-phenylmethoxybut-3-en-2-ylhydrazine has a molecular weight of 192.26 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxybut-3-en-2-ylhydrazine is sourced from PubChem (CID 131115304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).