ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate

C12H18N2O2 — CID 90967313

IUPACethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
SMILESCC.CCOC(=O)/C=N/Nc1ccccc1
InChIInChI=1S/C10H12N2O2.C2H6/c1-2-14-10(13)8-11-12-9-6-4-3-5-7-9;1-2/h3-8,12H,2H2,1H3;1-2H3/b11-8+;
InChIKeyXLAPOBPHPGRNSY-YGCVIUNWSA-N
MW222.29 g/mol
LogP2.67
Rot. Bonds4

About ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate

ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate (PubChem CID 90967313) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
PubChem CID90967313
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
SMILESCC.CCOC(=O)/C=N/Nc1ccccc1
InChIInChI=1S/C10H12N2O2.C2H6/c1-2-14-10(13)8-11-12-9-6-4-3-5-7-9;1-2/h3-8,12H,2H2,1H3;1-2H3/b11-8+;
InChIKeyXLAPOBPHPGRNSY-YGCVIUNWSA-N
XLogP2.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.67
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate (CID 90967313) is ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate is CC.CCOC(=O)/C=N/Nc1ccccc1.
What is the InChIKey of ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate?
The InChIKey is XLAPOBPHPGRNSY-YGCVIUNWSA-N. The full InChI is InChI=1S/C10H12N2O2.C2H6/c1-2-14-10(13)8-11-12-9-6-4-3-5-7-9;1-2/h3-8,12H,2H2,1H3;1-2H3/b11-8+;.
What are the key properties of ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate?
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate has a molecular weight of 222.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 90967313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).