(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

C12H15NO2 — CID 10465548

IUPAC(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/N(C)C
InChIInChI=1S/C12H15NO2/c1-13(2)9-8-11(14)10-6-4-5-7-12(10)15-3/h4-9H,1-3H3/b9-8+
InChIKeyWKNJWYUQADHZSM-CMDGGOBGSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds4

About (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 10465548) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID10465548
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/N(C)C
InChIInChI=1S/C12H15NO2/c1-13(2)9-8-11(14)10-6-4-5-7-12(10)15-3/h4-9H,1-3H3/b9-8+
InChIKeyWKNJWYUQADHZSM-CMDGGOBGSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one (CID 10465548) is (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1C(=O)/C=C/N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is WKNJWYUQADHZSM-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)9-8-11(14)10-6-4-5-7-12(10)15-3/h4-9H,1-3H3/b9-8+.
What are the key properties of (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10465548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).