(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane

C13H20N2O — CID 168921913

IUPAC(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane
SMILESCC.CN(C)/N=C(\CC=O)c1ccccc1
InChIInChI=1S/C11H14N2O.C2H6/c1-13(2)12-11(8-9-14)10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b12-11+;
InChIKeyWFTSPHPFUMMRBP-CALJPSDSSA-N
MW220.32 g/mol
LogP2.57
Rot. Bonds4

About (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane

(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane (PubChem CID 168921913) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane.

Molecular Properties

Compound Name(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane
PubChem CID168921913
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane
SMILESCC.CN(C)/N=C(\CC=O)c1ccccc1
InChIInChI=1S/C11H14N2O.C2H6/c1-13(2)12-11(8-9-14)10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b12-11+;
InChIKeyWFTSPHPFUMMRBP-CALJPSDSSA-N
XLogP2.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane?
The IUPAC name of (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane (CID 168921913) is (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane.
What is the SMILES notation for (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane?
The canonical SMILES for (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane is CC.CN(C)/N=C(\CC=O)c1ccccc1.
What is the InChIKey of (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane?
The InChIKey is WFTSPHPFUMMRBP-CALJPSDSSA-N. The full InChI is InChI=1S/C11H14N2O.C2H6/c1-13(2)12-11(8-9-14)10-6-4-3-5-7-10;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b12-11+;.
What are the key properties of (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane?
(3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane has a molecular weight of 220.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylhydrazinylidene)-3-phenylpropanal;ethane is sourced from PubChem (CID 168921913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).