2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

C18H25NO3 — CID 97317309

IUPAC2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CC(C)(C)O1
InChIInChI=1S/C18H25NO3/c1-13-11-19(12-18(2,3)22-13)17(20)10-14-8-9-21-16-7-5-4-6-15(14)16/h4-7,13-14H,8-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyKLQCSMAGUVWBPK-KBPBESRZSA-N
MW303.40 g/mol
LogP2.97
Rot. Bonds2

About 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (PubChem CID 97317309) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
PubChem CID97317309
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CC(C)(C)O1
InChIInChI=1S/C18H25NO3/c1-13-11-19(12-18(2,3)22-13)17(20)10-14-8-9-21-16-7-5-4-6-15(14)16/h4-7,13-14H,8-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyKLQCSMAGUVWBPK-KBPBESRZSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308
(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
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide
CID 154874763
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone;hydrochloride
CID 120746728
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)hexan-2-one
CID 104769879

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone (CID 97317309) is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CC(C)(C)O1.
What is the InChIKey of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The InChIKey is KLQCSMAGUVWBPK-KBPBESRZSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-11-19(12-18(2,3)22-13)17(20)10-14-8-9-21-16-7-5-4-6-15(14)16/h4-7,13-14H,8-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone?
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 97317309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).