(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

C17H17NO — CID 10083524

IUPAC(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccccc1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17NO/c1-18(2)16-11-7-6-10-15(16)17(19)13-12-14-8-4-3-5-9-14/h3-13H,1-2H3/b13-12+
InChIKeyKVVXEJRHXNCUHV-OUKQBFOZSA-N
MW251.33 g/mol
LogP3.65
Rot. Bonds4

About (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 10083524) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
PubChem CID10083524
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccccc1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17NO/c1-18(2)16-11-7-6-10-15(16)17(19)13-12-14-8-4-3-5-9-14/h3-13H,1-2H3/b13-12+
InChIKeyKVVXEJRHXNCUHV-OUKQBFOZSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (CID 10083524) is (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is CN(C)c1ccccc1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is KVVXEJRHXNCUHV-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H17NO/c1-18(2)16-11-7-6-10-15(16)17(19)13-12-14-8-4-3-5-9-14/h3-13H,1-2H3/b13-12+.
What are the key properties of (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 10083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).