(Z)-2-phenylbut-2-en-1-imine;propane

C13H19N — CID 166165004

IUPAC(Z)-2-phenylbut-2-en-1-imine;propane
SMILESCCC.[H]/N=C/C(=C\C)c1ccccc1
InChIInChI=1S/C10H11N.C3H8/c1-2-9(8-11)10-6-4-3-5-7-10;1-3-2/h2-8,11H,1H3;3H2,1-2H3/b9-2+,11-8+;
InChIKeyBAQHVJUKHDWXBN-CITVDJSZSA-N
MW189.30 g/mol
LogP4.16
Rot. Bonds2

About (Z)-2-phenylbut-2-en-1-imine;propane

(Z)-2-phenylbut-2-en-1-imine;propane (PubChem CID 166165004) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (Z)-2-phenylbut-2-en-1-imine;propane.

Molecular Properties

Compound Name(Z)-2-phenylbut-2-en-1-imine;propane
PubChem CID166165004
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(Z)-2-phenylbut-2-en-1-imine;propane
SMILESCCC.[H]/N=C/C(=C\C)c1ccccc1
InChIInChI=1S/C10H11N.C3H8/c1-2-9(8-11)10-6-4-3-5-7-10;1-3-2/h2-8,11H,1H3;3H2,1-2H3/b9-2+,11-8+;
InChIKeyBAQHVJUKHDWXBN-CITVDJSZSA-N
XLogP4.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.16
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 (Z)-2-phenylbut-2-en-1-imine;propane?
The IUPAC name of (Z)-2-phenylbut-2-en-1-imine;propane (CID 166165004) is (Z)-2-phenylbut-2-en-1-imine;propane.
What is the SMILES notation for (Z)-2-phenylbut-2-en-1-imine;propane?
The canonical SMILES for (Z)-2-phenylbut-2-en-1-imine;propane is CCC.[H]/N=C/C(=C\C)c1ccccc1.
What is the InChIKey of (Z)-2-phenylbut-2-en-1-imine;propane?
The InChIKey is BAQHVJUKHDWXBN-CITVDJSZSA-N. The full InChI is InChI=1S/C10H11N.C3H8/c1-2-9(8-11)10-6-4-3-5-7-10;1-3-2/h2-8,11H,1H3;3H2,1-2H3/b9-2+,11-8+;.
What are the key properties of (Z)-2-phenylbut-2-en-1-imine;propane?
(Z)-2-phenylbut-2-en-1-imine;propane has a molecular weight of 189.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenylbut-2-en-1-imine;propane is sourced from PubChem (CID 166165004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).