(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide

C10H12N2O2 — CID 154724082

IUPAC(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide
SMILESCc1cc(/C=C/C(=O)NN)ccc1O
InChIInChI=1S/C10H12N2O2/c1-7-6-8(2-4-9(7)13)3-5-10(14)12-11/h2-6,13H,11H2,1H3,(H,12,14)/b5-3+
InChIKeyFTLWCQJMGSEOKG-HWKANZROSA-N
MW192.22 g/mol
LogP0.70
Rot. Bonds2

About (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide

(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide (PubChem CID 154724082) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide
PubChem CID154724082
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide
SMILESCc1cc(/C=C/C(=O)NN)ccc1O
InChIInChI=1S/C10H12N2O2/c1-7-6-8(2-4-9(7)13)3-5-10(14)12-11/h2-6,13H,11H2,1H3,(H,12,14)/b5-3+
InChIKeyFTLWCQJMGSEOKG-HWKANZROSA-N
XLogP0.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 89280749
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-1-(4-amino-2-methylphenyl)-3-(4-hydroxy-3-methylphenyl)prop-2-en-1-one
CID 68599201
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
(E)-3-(3,4-dihydroxyphenyl)-N-methylprop-2-enamide
CID 14989749
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
(E)-4-(4-amino-3-methylphenyl)but-3-en-2-one
CID 155030375
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
5-[(E)-2-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylbenzene-1,3-diol
CID 101451865

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide (CID 154724082) is (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide is Cc1cc(/C=C/C(=O)NN)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide?
The InChIKey is FTLWCQJMGSEOKG-HWKANZROSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-6-8(2-4-9(7)13)3-5-10(14)12-11/h2-6,13H,11H2,1H3,(H,12,14)/b5-3+.
What are the key properties of (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide?
(E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide has a molecular weight of 192.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methylphenyl)prop-2-enehydrazide is sourced from PubChem (CID 154724082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).