ethane;(Z)-3-phenylbut-2-en-1-imine

C12H17N — CID 142990186

IUPACethane;(Z)-3-phenylbut-2-en-1-imine
SMILESCC.[H]/N=C/C=C(/C)c1ccccc1
InChIInChI=1S/C10H11N.C2H6/c1-9(7-8-11)10-5-3-2-4-6-10;1-2/h2-8,11H,1H3;1-2H3/b9-7-,11-8+;
InChIKeyJFPNHUHAOCUISG-UYJCOFIDSA-N
MW175.27 g/mol
LogP3.77
Rot. Bonds2

About ethane;(Z)-3-phenylbut-2-en-1-imine

ethane;(Z)-3-phenylbut-2-en-1-imine (PubChem CID 142990186) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;(Z)-3-phenylbut-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-3-phenylbut-2-en-1-imine
PubChem CID142990186
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Nameethane;(Z)-3-phenylbut-2-en-1-imine
SMILESCC.[H]/N=C/C=C(/C)c1ccccc1
InChIInChI=1S/C10H11N.C2H6/c1-9(7-8-11)10-5-3-2-4-6-10;1-2/h2-8,11H,1H3;1-2H3/b9-7-,11-8+;
InChIKeyJFPNHUHAOCUISG-UYJCOFIDSA-N
XLogP3.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-phenylbut-2-en-1-imine?
The IUPAC name of ethane;(Z)-3-phenylbut-2-en-1-imine (CID 142990186) is ethane;(Z)-3-phenylbut-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-3-phenylbut-2-en-1-imine?
The canonical SMILES for ethane;(Z)-3-phenylbut-2-en-1-imine is CC.[H]/N=C/C=C(/C)c1ccccc1.
What is the InChIKey of ethane;(Z)-3-phenylbut-2-en-1-imine?
The InChIKey is JFPNHUHAOCUISG-UYJCOFIDSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-9(7-8-11)10-5-3-2-4-6-10;1-2/h2-8,11H,1H3;1-2H3/b9-7-,11-8+;.
What are the key properties of ethane;(Z)-3-phenylbut-2-en-1-imine?
ethane;(Z)-3-phenylbut-2-en-1-imine has a molecular weight of 175.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-phenylbut-2-en-1-imine is sourced from PubChem (CID 142990186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).