4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine

C26H32N2O6 — CID 158867016

IUPAC4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine
SMILESC1COCCN1.CC(C)c1ccc2c(c1)OC1(O)c3cccc(N4CCOCC4)c3C(=O)C21O
InChIInChI=1S/C22H23NO5.C4H9NO/c1-13(2)14-6-7-15-18(12-14)28-22(26)16-4-3-5-17(23-8-10-27-11-9-23)19(16)20(24)21(15,22)25;1-3-6-4-2-5-1/h3-7,12-13,25-26H,8-11H2,1-2H3;5H,1-4H2
InChIKeyJBJDDYOQJLWPFP-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.87
Rot. Bonds2

About 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine

4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine (PubChem CID 158867016) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine.

Molecular Properties

Compound Name4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine
PubChem CID158867016
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine
SMILESC1COCCN1.CC(C)c1ccc2c(c1)OC1(O)c3cccc(N4CCOCC4)c3C(=O)C21O
InChIInChI=1S/C22H23NO5.C4H9NO/c1-13(2)14-6-7-15-18(12-14)28-22(26)16-4-3-5-17(23-8-10-27-11-9-23)19(16)20(24)21(15,22)25;1-3-6-4-2-5-1/h3-7,12-13,25-26H,8-11H2,1-2H3;5H,1-4H2
InChIKeyJBJDDYOQJLWPFP-UHFFFAOYSA-N
XLogP1.87
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine with MolForge

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Related Compounds

1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 86716900
1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097669
4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097629
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
CID 90097624
1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
CID 86716866
3-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 172813578
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,1,1-trifluoromethanesulfonamide
CID 71487807
N'-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-N-(2,6-dimethylphenyl)oxamide
CID 118531338
methyl N-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 140639208
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
1-[(4bS,9bS)-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl]-3-ethylurea
CID 90097606

Frequently Asked Questions

What is the IUPAC name of 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine?
The IUPAC name of 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine (CID 158867016) is 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine.
What is the SMILES notation for 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine?
The canonical SMILES for 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine is C1COCCN1.CC(C)c1ccc2c(c1)OC1(O)c3cccc(N4CCOCC4)c3C(=O)C21O.
What is the InChIKey of 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine?
The InChIKey is JBJDDYOQJLWPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5.C4H9NO/c1-13(2)14-6-7-15-18(12-14)28-22(26)16-4-3-5-17(23-8-10-27-11-9-23)19(16)20(24)21(15,22)25;1-3-6-4-2-5-1/h3-7,12-13,25-26H,8-11H2,1-2H3;5H,1-4H2.
What are the key properties of 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine?
4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine has a molecular weight of 468.55 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9b-dihydroxy-1-morpholin-4-yl-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one;morpholine is sourced from PubChem (CID 158867016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).