sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate

C11H13N2NaO2 — CID 23699425

IUPACsodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate
SMILESC/C(=N/NCCc1ccccc1)C(=O)[O-].[Na+]
InChIInChI=1S/C11H14N2O2.Na/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10;/h2-6,12H,7-8H2,1H3,(H,14,15);/q;+1/p-1/b13-9-;
InChIKeySJPMNNUVDFGNJL-CHHCPSLASA-M
MW228.23 g/mol
LogP-3.05
Rot. Bonds5

About sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate

sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate (PubChem CID 23699425) has the molecular formula C11H13N2NaO2 and a molecular weight of 228.23 g/mol. Its IUPAC name is sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate.

Molecular Properties

Compound Namesodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate
PubChem CID23699425
Molecular FormulaC11H13N2NaO2
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Namesodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate
SMILESC/C(=N/NCCc1ccccc1)C(=O)[O-].[Na+]
InChIInChI=1S/C11H14N2O2.Na/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10;/h2-6,12H,7-8H2,1H3,(H,14,15);/q;+1/p-1/b13-9-;
InChIKeySJPMNNUVDFGNJL-CHHCPSLASA-M
XLogP-3.05
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-3.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;(Z)-2,3-bis(2-phenylethyl)but-2-enedioate
CID 66648612
dibenzyltin(2+);(Z)-2,3-dimethylbut-2-enedioate
CID 22463063
3-phenylpropylazanium acetate
CID 67633985
benzyltin(3+) triacetate
CID 161126164
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
2-phenylethylcarbamothioic S-acid
CID 11116669
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
N-(2-phenylethyl)ethanethioamide
CID 58678856
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178

Frequently Asked Questions

What is the IUPAC name of sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate?
The IUPAC name of sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate (CID 23699425) is sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate.
What is the SMILES notation for sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate?
The canonical SMILES for sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate is C/C(=N/NCCc1ccccc1)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate?
The InChIKey is SJPMNNUVDFGNJL-CHHCPSLASA-M. The full InChI is InChI=1S/C11H14N2O2.Na/c1-9(11(14)15)13-12-8-7-10-5-3-2-4-6-10;/h2-6,12H,7-8H2,1H3,(H,14,15);/q;+1/p-1/b13-9-;.
What are the key properties of sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate?
sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate has a molecular weight of 228.23 g/mol, XLogP of -3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2Z)-2-(2-phenylethylhydrazinylidene)propanoate is sourced from PubChem (CID 23699425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).