(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide

C16H15N3O4 — CID 132592007

IUPAC(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESCc1ccc(O/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NN)cc1
InChIInChI=1S/C16H15N3O4/c1-11-5-7-14(8-6-11)23-15(16(20)18-17)10-12-3-2-4-13(9-12)19(21)22/h2-10H,17H2,1H3,(H,18,20)/b15-10-
InChIKeyITKCHIOCJVYDCD-GDNBJRDFSA-N
MW313.31 g/mol
LogP2.31
Rot. Bonds5

About (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide

(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide (PubChem CID 132592007) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
PubChem CID132592007
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESCc1ccc(O/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NN)cc1
InChIInChI=1S/C16H15N3O4/c1-11-5-7-14(8-6-11)23-15(16(20)18-17)10-12-3-2-4-13(9-12)19(21)22/h2-10H,17H2,1H3,(H,18,20)/b15-10-
InChIKeyITKCHIOCJVYDCD-GDNBJRDFSA-N
XLogP2.31
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'}

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Related Compounds

(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132591997
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
CID 132591993
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721309
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
methyl (2E)-2-[(3-nitrophenyl)methylidene]butanoate
CID 59654824
2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354
(4-nitrophenyl) (E)-3-(3-methylphenyl)prop-2-enoate
CID 43000272
methyl (E)-2-(hydroxymethyl)-3-(3-nitrophenyl)prop-2-enoate
CID 11851255
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate
CID 3491637

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide (CID 132592007) is (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide is Cc1ccc(O/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NN)cc1.
What is the InChIKey of (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The InChIKey is ITKCHIOCJVYDCD-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11-5-7-14(8-6-11)23-15(16(20)18-17)10-12-3-2-4-13(9-12)19(21)22/h2-10H,17H2,1H3,(H,18,20)/b15-10-.
What are the key properties of (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide has a molecular weight of 313.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 132592007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).