phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate

C10H12N2O2 — CID 89398517

IUPACphenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate
SMILESC/C=N/NCC(=O)Oc1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-11-12-8-10(13)14-9-6-4-3-5-7-9/h2-7,12H,8H2,1H3/b11-2+
InChIKeyIVBFBXULGZXKCU-BIIKFXOESA-N
MW192.22 g/mol
LogP1.19
Rot. Bonds4

About phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate

phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate (PubChem CID 89398517) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate.

Molecular Properties

Compound Namephenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate
PubChem CID89398517
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namephenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate
SMILESC/C=N/NCC(=O)Oc1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-11-12-8-10(13)14-9-6-4-3-5-7-9/h2-7,12H,8H2,1H3/b11-2+
InChIKeyIVBFBXULGZXKCU-BIIKFXOESA-N
XLogP1.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl propanoate
CID 161258381
3-oxo-3-phenoxypropanoic acid
CID 3015801
phenyl N-ethylidenecarbamate
CID 57026062
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
diphenyl nonanedioate
CID 18428919
CID 161494205
CID 161494205
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
phenyl butanoate
CID 20354
ethane;phenyl 3-oxo-3-phenylpropanoate
CID 91400394
lithium [2-(sulfinatoamino)acetyl]oxybenzene
CID 165129219
phenyl 2-selanylacetate
CID 174249881
phenyl heptadec-3-enoate
CID 54292851

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate?
The IUPAC name of phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate (CID 89398517) is phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate.
What is the SMILES notation for phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate?
The canonical SMILES for phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate is C/C=N/NCC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate?
The InChIKey is IVBFBXULGZXKCU-BIIKFXOESA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-11-12-8-10(13)14-9-6-4-3-5-7-9/h2-7,12H,8H2,1H3/b11-2+.
What are the key properties of phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate?
phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate has a molecular weight of 192.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(2E)-2-ethylidenehydrazinyl]acetate is sourced from PubChem (CID 89398517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).