1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

C19H19NO4 — CID 138660555

IUPAC1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCOC12Oc3cc(C(C)C)ccc3C1(O)C(=O)c1c(N)cccc12
InChIInChI=1S/C19H19NO4/c1-10(2)11-7-8-12-15(9-11)24-19(23-3)13-5-4-6-14(20)16(13)17(21)18(12,19)22/h4-10,22H,20H2,1-3H3
InChIKeyVMYCUWPJHHBOJM-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.67
Rot. Bonds2

About 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 138660555) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
PubChem CID138660555
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCOC12Oc3cc(C(C)C)ccc3C1(O)C(=O)c1c(N)cccc12
InChIInChI=1S/C19H19NO4/c1-10(2)11-7-8-12-15(9-11)24-19(23-3)13-5-4-6-14(20)16(13)17(21)18(12,19)22/h4-10,22H,20H2,1-3H3
InChIKeyVMYCUWPJHHBOJM-UHFFFAOYSA-N
XLogP2.67
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (CID 138660555) is 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is COC12Oc3cc(C(C)C)ccc3C1(O)C(=O)c1c(N)cccc12.
What is the InChIKey of 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is VMYCUWPJHHBOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-10(2)11-7-8-12-15(9-11)24-19(23-3)13-5-4-6-14(20)16(13)17(21)18(12,19)22/h4-10,22H,20H2,1-3H3.
What are the key properties of 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 325.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 138660555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).