7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one

C22H21NO4 — CID 138992779

IUPAC7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOC3(CCc4ccccc43)C2)c2ccc(O)cc2o1
InChIInChI=1S/C22H21NO4/c24-17-5-6-18-16(11-21(25)27-20(18)12-17)13-23-9-10-26-22(14-23)8-7-15-3-1-2-4-19(15)22/h1-6,11-12,24H,7-10,13-14H2
InChIKeyIYWFAHNVSNGGQD-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.17
Rot. Bonds2

About 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one

7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one (PubChem CID 138992779) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one
PubChem CID138992779
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOC3(CCc4ccccc43)C2)c2ccc(O)cc2o1
InChIInChI=1S/C22H21NO4/c24-17-5-6-18-16(11-21(25)27-20(18)12-17)13-23-9-10-26-22(14-23)8-7-15-3-1-2-4-19(15)22/h1-6,11-12,24H,7-10,13-14H2
InChIKeyIYWFAHNVSNGGQD-UHFFFAOYSA-N
XLogP3.17
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one (CID 138992779) is 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one is O=c1cc(CN2CCOC3(CCc4ccccc43)C2)c2ccc(O)cc2o1.
What is the InChIKey of 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one?
The InChIKey is IYWFAHNVSNGGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-17-5-6-18-16(11-21(25)27-20(18)12-17)13-23-9-10-26-22(14-23)8-7-15-3-1-2-4-19(15)22/h1-6,11-12,24H,7-10,13-14H2.
What are the key properties of 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one?
7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethyl)chromen-2-one is sourced from PubChem (CID 138992779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).