8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one

C17H21NO4 — CID 5391091

IUPAC8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc12
InChIInChI=1S/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyWBYAFENTWYUJID-VXGBXAGGSA-N
MW303.36 g/mol
LogP2.42
Rot. Bonds2

About 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one

8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one (PubChem CID 5391091) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one
PubChem CID5391091
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc12
InChIInChI=1S/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyWBYAFENTWYUJID-VXGBXAGGSA-N
XLogP2.42
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5350076
8-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one
CID 6920052
1-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperidine-4-carboxylic acid
CID 132585294
7-hydroxy-4-methyl-8-[(3-phenylpyrrolidin-1-yl)methyl]chromen-2-one
CID 71754577
8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-phenylchromen-4-one
CID 5448691
4-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 5417092
7-hydroxy-4-methyl-8-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]chromen-2-one
CID 71701378
8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-naphthalen-2-yloxy-2-(trifluoromethyl)chromen-4-one
CID 5450761
3-(2-chlorophenyl)-8-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 5449404
8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-hydroxy-4-(2-oxochromen-3-yl)chromen-2-one
CID 40892755
8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5439005
7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one
CID 5322247

Frequently Asked Questions

What is the IUPAC name of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one (CID 5391091) is 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc12.
What is the InChIKey of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one?
The InChIKey is WBYAFENTWYUJID-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10-6-16(20)22-17-13(10)4-5-15(19)14(17)9-18-7-11(2)21-12(3)8-18/h4-6,11-12,19H,7-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one?
8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one has a molecular weight of 303.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 5391091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).