(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one

C15H15NO — CID 5375885

IUPAC(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3/b10-9+
InChIKeyIUVYDBZSZDZCMG-MDZDMXLPSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds3

About (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 5375885) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID5375885
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3/b10-9+
InChIKeyIUVYDBZSZDZCMG-MDZDMXLPSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
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)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one (CID 5375885) is (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one is CN(C)/C=C/C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is IUVYDBZSZDZCMG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H15NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3/b10-9+.
What are the key properties of (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5375885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).