(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide

C10H11N3O4 — CID 91684043

IUPAC(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-17-9-4-2-7(3-5-10(14)12-11)6-8(9)13(15)16/h2-6H,11H2,1H3,(H,12,14)/b5-3+
InChIKeyUHENYIFMIGWMRC-HWKANZROSA-N
MW237.22 g/mol
LogP0.61
Rot. Bonds4

About (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide

(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide (PubChem CID 91684043) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
PubChem CID91684043
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
SMILESCOc1ccc(/C=C/C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c1-17-9-4-2-7(3-5-10(14)12-11)6-8(9)13(15)16/h2-6H,11H2,1H3,(H,12,14)/b5-3+
InChIKeyUHENYIFMIGWMRC-HWKANZROSA-N
XLogP0.61
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
(E)-1-(4-iodophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 5287289
(E)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 135360114
4-(4-methoxy-3-nitrophenyl)-N-[2-(4-methoxy-3-nitrophenyl)ethenyl]-2-oxobut-3-ene-1-sulfonamide
CID 173173903
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
4-methoxy-3-nitrobenzaldehyde
CID 700608
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
N-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327874
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
CID 57480489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide (CID 91684043) is (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide is COc1ccc(/C=C/C(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide?
The InChIKey is UHENYIFMIGWMRC-HWKANZROSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-9-4-2-7(3-5-10(14)12-11)6-8(9)13(15)16/h2-6H,11H2,1H3,(H,12,14)/b5-3+.
What are the key properties of (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide?
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide has a molecular weight of 237.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 91684043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).