4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one

C18H23NO3 — CID 7198589

IUPAC4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
SMILESCCc1ccc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2c1
InChIInChI=1S/C18H23NO3/c1-4-14-5-6-17-16(7-14)15(8-18(20)22-17)11-19-9-12(2)21-13(3)10-19/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyIGGPMVDPVDEGHY-CHWSQXEVSA-N
MW301.39 g/mol
LogP2.96
Rot. Bonds3

About 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one

4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one (PubChem CID 7198589) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one.

Molecular Properties

Compound Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
PubChem CID7198589
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
SMILESCCc1ccc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2c1
InChIInChI=1S/C18H23NO3/c1-4-14-5-6-17-16(7-14)15(8-18(20)22-17)11-19-9-12(2)21-13(3)10-19/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyIGGPMVDPVDEGHY-CHWSQXEVSA-N
XLogP2.96
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one?
The IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one (CID 7198589) is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one.
What is the SMILES notation for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one?
The canonical SMILES for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one is CCc1ccc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2c1.
What is the InChIKey of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one?
The InChIKey is IGGPMVDPVDEGHY-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-14-5-6-17-16(7-14)15(8-18(20)22-17)11-19-9-12(2)21-13(3)10-19/h5-8,12-13H,4,9-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one?
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one is sourced from PubChem (CID 7198589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).