2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone

C12H15NO2 — CID 70440108

IUPAC2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone
SMILESC=CCNC(OC)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-12(15-2)11(14)10-7-5-4-6-8-10/h3-8,12-13H,1,9H2,2H3
InChIKeyJGPHZRGRHNTACX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds6

About 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone

2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone (PubChem CID 70440108) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone
PubChem CID70440108
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone
SMILESC=CCNC(OC)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-12(15-2)11(14)10-7-5-4-6-8-10/h3-8,12-13H,1,9H2,2H3
InChIKeyJGPHZRGRHNTACX-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone?
The IUPAC name of 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone (CID 70440108) is 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone is C=CCNC(OC)C(=O)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone?
The InChIKey is JGPHZRGRHNTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-13-12(15-2)11(14)10-7-5-4-6-8-10/h3-8,12-13H,1,9H2,2H3.
What are the key properties of 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone?
2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 70440108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).