(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide

C9H10N2O2 — CID 820256

IUPAC(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H10N2O2/c10-11-9(13)6-3-7-1-4-8(12)5-2-7/h1-6,12H,10H2,(H,11,13)/b6-3+
InChIKeyCRSGPFJTSAVQLO-ZZXKWVIFSA-N
MW178.19 g/mol
LogP0.40
Rot. Bonds2

About (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide

(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide (PubChem CID 820256) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide
PubChem CID820256
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C9H10N2O2/c10-11-9(13)6-3-7-1-4-8(12)5-2-7/h1-6,12H,10H2,(H,11,13)/b6-3+
InChIKeyCRSGPFJTSAVQLO-ZZXKWVIFSA-N
XLogP0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide (CID 820256) is (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide?
The InChIKey is CRSGPFJTSAVQLO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-11-9(13)6-3-7-1-4-8(12)5-2-7/h1-6,12H,10H2,(H,11,13)/b6-3+.
What are the key properties of (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide?
(E)-3-(4-hydroxyphenyl)prop-2-enehydrazide has a molecular weight of 178.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 820256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).