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

C15H15NO — CID 610454

IUPAC3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN(C)C=CC(=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
InChIKeyIUVYDBZSZDZCMG-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds3

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

3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 610454) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID610454
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN(C)C=CC(=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
InChIKeyIUVYDBZSZDZCMG-UHFFFAOYSA-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 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one (CID 610454) is 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one is CN(C)C=CC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is IUVYDBZSZDZCMG-UHFFFAOYSA-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.
What are the key properties of 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one?
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 3-(dimethylamino)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).