2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone

C13H21NO2 — CID 100569387

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)[C@H](C)CO1
InChIInChI=1S/C13H21NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h3,5,10-12H,4,6-9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyQQXRBHQEWCCXGW-IJLUTSLNSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds2

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone (PubChem CID 100569387) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
PubChem CID100569387
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)[C@H](C)CO1
InChIInChI=1S/C13H21NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h3,5,10-12H,4,6-9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKeyQQXRBHQEWCCXGW-IJLUTSLNSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79606856
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814
2-cyclopent-2-en-1-yl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213041
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
1-(2,5-dimethylmorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107022948
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 94093975

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone (CID 100569387) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone is C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)[C@H](C)CO1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone?
The InChIKey is QQXRBHQEWCCXGW-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-9-16-11(2)8-14(10)13(15)7-12-5-3-4-6-12/h3,5,10-12H,4,6-9H2,1-2H3/t10-,11-,12-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone has a molecular weight of 223.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).