2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone

C18H23NO2 — CID 71993114

IUPAC2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2C=CCC2)C(c2ccccc2)CO1
InChIInChI=1S/C18H23NO2/c1-14-12-19(18(20)11-15-7-5-6-8-15)17(13-21-14)16-9-3-2-4-10-16/h2-5,7,9-10,14-15,17H,6,8,11-13H2,1H3
InChIKeyMZQNZPPKOOAHGB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone

2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone (PubChem CID 71993114) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
PubChem CID71993114
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2C=CCC2)C(c2ccccc2)CO1
InChIInChI=1S/C18H23NO2/c1-14-12-19(18(20)11-15-7-5-6-8-15)17(13-21-14)16-9-3-2-4-10-16/h2-5,7,9-10,14-15,17H,6,8,11-13H2,1H3
InChIKeyMZQNZPPKOOAHGB-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone (CID 71993114) is 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone is CC1CN(C(=O)CC2C=CCC2)C(c2ccccc2)CO1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The InChIKey is MZQNZPPKOOAHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-12-19(18(20)11-15-7-5-6-8-15)17(13-21-14)16-9-3-2-4-10-16/h2-5,7,9-10,14-15,17H,6,8,11-13H2,1H3.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 71993114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).