(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide

C11H14N2O3 — CID 6366846

IUPAC(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NN)cc1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(14)13-12/h3-7H,12H2,1-2H3,(H,13,14)/b6-4+
InChIKeyDFDYATFYDWUYGY-GQCTYLIASA-N
MW222.24 g/mol
LogP0.71
Rot. Bonds4

About (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide

(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide (PubChem CID 6366846) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
PubChem CID6366846
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NN)cc1OC
InChIInChI=1S/C11H14N2O3/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(14)13-12/h3-7H,12H2,1-2H3,(H,13,14)/b6-4+
InChIKeyDFDYATFYDWUYGY-GQCTYLIASA-N
XLogP0.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide (CID 6366846) is (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide is COc1ccc(/C=C/C(=O)NN)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is DFDYATFYDWUYGY-GQCTYLIASA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-9-5-3-8(7-10(9)16-2)4-6-11(14)13-12/h3-7H,12H2,1-2H3,(H,13,14)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide?
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 222.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 6366846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).