2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone

C20H28N2O3 — CID 100837733

IUPAC2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c1-15-13-22(14-18(15)21-7-10-24-11-8-21)20(23)12-16-6-9-25-19-5-3-2-4-17(16)19/h2-5,15-16,18H,6-14H2,1H3/t15-,16-,18+/m1/s1
InChIKeyLUYAMZBUCZJLFU-NUJGCVRESA-N
MW344.45 g/mol
LogP2.12
Rot. Bonds3

About 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone

2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone (PubChem CID 100837733) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
PubChem CID100837733
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c1-15-13-22(14-18(15)21-7-10-24-11-8-21)20(23)12-16-6-9-25-19-5-3-2-4-17(16)19/h2-5,15-16,18H,6-14H2,1H3/t15-,16-,18+/m1/s1
InChIKeyLUYAMZBUCZJLFU-NUJGCVRESA-N
XLogP2.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone;hydrochloride
CID 120746728
(3R)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695266
(3S)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695179
tert-butyl (3S)-4-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-3-methylpiperazine-1-carboxylate
CID 75435243
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone (CID 100837733) is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone is C[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)C[C@@H]1N1CCOCC1.
What is the InChIKey of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
The InChIKey is LUYAMZBUCZJLFU-NUJGCVRESA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-13-22(14-18(15)21-7-10-24-11-8-21)20(23)12-16-6-9-25-19-5-3-2-4-17(16)19/h2-5,15-16,18H,6-14H2,1H3/t15-,16-,18+/m1/s1.
What are the key properties of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone?
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100837733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).