[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone

C14H17NO3 — CID 26794764

IUPAC[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(15-5-7-17-8-6-15)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12H,5-10H2/t12-/m1/s1
InChIKeyVMUKBSZYOYTQRG-GFCCVEGCSA-N
MW247.29 g/mol
LogP1.10
Rot. Bonds1

About [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone

[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone (PubChem CID 26794764) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
PubChem CID26794764
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(15-5-7-17-8-6-15)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12H,5-10H2/t12-/m1/s1
InChIKeyVMUKBSZYOYTQRG-GFCCVEGCSA-N
XLogP1.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
(3R)-4-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]morpholine-3-carboxylic acid
CID 124513542
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
2-[(2R)-4-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132391
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone (CID 26794764) is [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone is O=C([C@H]1COc2ccccc2C1)N1CCOCC1.
What is the InChIKey of [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VMUKBSZYOYTQRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(15-5-7-17-8-6-15)12-9-11-3-1-2-4-13(11)18-10-12/h1-4,12H,5-10H2/t12-/m1/s1.
What are the key properties of [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone?
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone has a molecular weight of 247.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26794764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).