2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

C17H26N2O3 — CID 95623368

IUPAC2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCN1C(=O)CC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(13-14-5-2-1-3-6-14)19-8-4-7-15(19)17(21)18-9-11-22-12-10-18/h5,15H,1-4,6-13H2/t15-/m1/s1
InChIKeyWROQCIFFNSYUOU-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.73
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 95623368) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID95623368
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCN1C(=O)CC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C17H26N2O3/c20-16(13-14-5-2-1-3-6-14)19-8-4-7-15(19)17(21)18-9-11-22-12-10-18/h5,15H,1-4,6-13H2/t15-/m1/s1
InChIKeyWROQCIFFNSYUOU-OAHLLOKOSA-N
XLogP1.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 95623368) is 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is O=C([C@H]1CCCN1C(=O)CC1=CCCCC1)N1CCOCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WROQCIFFNSYUOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c20-16(13-14-5-2-1-3-6-14)19-8-4-7-15(19)17(21)18-9-11-22-12-10-18/h5,15H,1-4,6-13H2/t15-/m1/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95623368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).