2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one

C19H19NO2 — CID 22153096

IUPAC2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(OC)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-17-12-16(13-7-4-3-5-8-13)19(21)18(17)14-9-6-10-15(11-14)22-2/h3-11,16,20H,12H2,1-2H3
InChIKeyQEGQWGWERCRPQN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one

2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one (PubChem CID 22153096) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
PubChem CID22153096
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one
SMILESCNC1=C(c2cccc(OC)c2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-17-12-16(13-7-4-3-5-8-13)19(21)18(17)14-9-6-10-15(11-14)22-2/h3-11,16,20H,12H2,1-2H3
InChIKeyQEGQWGWERCRPQN-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one (CID 22153096) is 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one is CNC1=C(c2cccc(OC)c2)C(=O)C(c2ccccc2)C1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one?
The InChIKey is QEGQWGWERCRPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-17-12-16(13-7-4-3-5-8-13)19(21)18(17)14-9-6-10-15(11-14)22-2/h3-11,16,20H,12H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one?
2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(methylamino)-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 22153096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).