(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide

C12H14N2O2 — CID 6263279

IUPAC(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide
SMILESC=CCOc1ccccc1/C=C/C(=O)NN
InChIInChI=1S/C12H14N2O2/c1-2-9-16-11-6-4-3-5-10(11)7-8-12(15)14-13/h2-8H,1,9,13H2,(H,14,15)/b8-7+
InChIKeyYLOSBACQWYBJNU-BQYQJAHWSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds5

About (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide

(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide (PubChem CID 6263279) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide
PubChem CID6263279
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide
SMILESC=CCOc1ccccc1/C=C/C(=O)NN
InChIInChI=1S/C12H14N2O2/c1-2-9-16-11-6-4-3-5-10(11)7-8-12(15)14-13/h2-8H,1,9,13H2,(H,14,15)/b8-7+
InChIKeyYLOSBACQWYBJNU-BQYQJAHWSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 6235261
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
ethyl (E,2Z)-2-methylsulfonylimino-4-(2-prop-2-enoxyphenyl)but-3-enoate
CID 10337147
4-hydroxy-6-methyl-3-[(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135677198
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide (CID 6263279) is (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide is C=CCOc1ccccc1/C=C/C(=O)NN.
What is the InChIKey of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide?
The InChIKey is YLOSBACQWYBJNU-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-9-16-11-6-4-3-5-10(11)7-8-12(15)14-13/h2-8H,1,9,13H2,(H,14,15)/b8-7+.
What are the key properties of (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide?
(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide has a molecular weight of 218.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6263279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).