1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

C20H21NO4 — CID 90097669

IUPAC1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCCNc1cccc2c1C(=O)C1(O)c3ccc(C(C)C)cc3OC21O
InChIInChI=1S/C20H21NO4/c1-4-21-15-7-5-6-14-17(15)18(22)19(23)13-9-8-12(11(2)3)10-16(13)25-20(14,19)24/h5-11,21,23-24H,4H2,1-3H3
InChIKeyPOAHBBULVBJONO-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.86
Rot. Bonds3

About 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 90097669) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
PubChem CID90097669
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCCNc1cccc2c1C(=O)C1(O)c3ccc(C(C)C)cc3OC21O
InChIInChI=1S/C20H21NO4/c1-4-21-15-7-5-6-14-17(15)18(22)19(23)13-9-8-12(11(2)3)10-16(13)25-20(14,19)24/h5-11,21,23-24H,4H2,1-3H3
InChIKeyPOAHBBULVBJONO-UHFFFAOYSA-N
XLogP2.86
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (CID 90097669) is 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is CCNc1cccc2c1C(=O)C1(O)c3ccc(C(C)C)cc3OC21O.
What is the InChIKey of 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is POAHBBULVBJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-4-21-15-7-5-6-14-17(15)18(22)19(23)13-9-8-12(11(2)3)10-16(13)25-20(14,19)24/h5-11,21,23-24H,4H2,1-3H3.
What are the key properties of 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 339.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 90097669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).