2-(dimethylamino)-1-phenylprop-2-en-1-one

C11H13NO — CID 23037706

IUPAC2-(dimethylamino)-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C11H13NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyXBHMAHLKKYITCH-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.94
Rot. Bonds3

About 2-(dimethylamino)-1-phenylprop-2-en-1-one

2-(dimethylamino)-1-phenylprop-2-en-1-one (PubChem CID 23037706) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(dimethylamino)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-phenylprop-2-en-1-one
PubChem CID23037706
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(dimethylamino)-1-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C11H13NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
InChIKeyXBHMAHLKKYITCH-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.94
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 2-(dimethylamino)-1-phenylprop-2-en-1-one?
The IUPAC name of 2-(dimethylamino)-1-phenylprop-2-en-1-one (CID 23037706) is 2-(dimethylamino)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-phenylprop-2-en-1-one?
The canonical SMILES for 2-(dimethylamino)-1-phenylprop-2-en-1-one is C=C(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-phenylprop-2-en-1-one?
The InChIKey is XBHMAHLKKYITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3.
What are the key properties of 2-(dimethylamino)-1-phenylprop-2-en-1-one?
2-(dimethylamino)-1-phenylprop-2-en-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 23037706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).