6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one

C20H25NO5 — CID 3243855

IUPAC6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C20H25NO5/c22-17-13-20(6-2-1-3-7-20)26-18-5-4-15(12-16(17)18)25-14-19(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11,13-14H2
InChIKeyGPBOKDZHLBJFAG-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.59
Rot. Bonds3

About 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one

6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 3243855) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID3243855
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C20H25NO5/c22-17-13-20(6-2-1-3-7-20)26-18-5-4-15(12-16(17)18)25-14-19(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11,13-14H2
InChIKeyGPBOKDZHLBJFAG-UHFFFAOYSA-N
XLogP2.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 3243855) is 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one is O=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21.
What is the InChIKey of 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is GPBOKDZHLBJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c22-17-13-20(6-2-1-3-7-20)26-18-5-4-15(12-16(17)18)25-14-19(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11,13-14H2.
What are the key properties of 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 359.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-yl-2-oxoethoxy)spiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 3243855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).