(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one

C13H17NO — CID 5473575

IUPAC(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one
SMILESCN(C)CCC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-14(2)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyJLWRSVWWZYOKTL-CMDGGOBGSA-N
MW203.29 g/mol
LogP2.22
Rot. Bonds5

About (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one

(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one (PubChem CID 5473575) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one
PubChem CID5473575
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one
SMILESCN(C)CCC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-14(2)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyJLWRSVWWZYOKTL-CMDGGOBGSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.22
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)-5-(dimethylamino)-1-phenylpent-1-en-3-one?
The IUPAC name of (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one (CID 5473575) is (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one?
The canonical SMILES for (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one is CN(C)CCC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one?
The InChIKey is JLWRSVWWZYOKTL-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17NO/c1-14(2)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one?
(E)-5-(dimethylamino)-1-phenylpent-1-en-3-one has a molecular weight of 203.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-1-phenylpent-1-en-3-one is sourced from PubChem (CID 5473575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).