1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one

C18H17NO3 — CID 154205419

IUPAC1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1c3cccc(N)c3C(=O)C21O
InChIInChI=1S/C18H17NO3/c1-9(2)10-6-7-12-14(8-10)22-17-11-4-3-5-13(19)15(11)16(20)18(12,17)21/h3-9,17,21H,19H2,1-2H3
InChIKeyUXUIZABOSAJDKU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds1

About 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one

1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one (PubChem CID 154205419) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one
PubChem CID154205419
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1c3cccc(N)c3C(=O)C21O
InChIInChI=1S/C18H17NO3/c1-9(2)10-6-7-12-14(8-10)22-17-11-4-3-5-13(19)15(11)16(20)18(12,17)21/h3-9,17,21H,19H2,1-2H3
InChIKeyUXUIZABOSAJDKU-UHFFFAOYSA-N
XLogP2.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 138660555
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)propanamide
CID 90097624
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,1,1-trifluoromethanesulfonamide
CID 71487807
2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
CID 151038554
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
1-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-phenylthiourea
CID 71488467
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
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-methoxybenzamide
CID 86716930
[1-amino-9b-(methylamino)-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-4b-yl] butanoate
CID 138662068
1-fluoro-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 86716900
4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 151891639
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-3-fluoropyridine-4-carboxamide
CID 86717011

Frequently Asked Questions

What is the IUPAC name of 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one (CID 154205419) is 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one is CC(C)c1ccc2c(c1)OC1c3cccc(N)c3C(=O)C21O.
What is the InChIKey of 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one?
The InChIKey is UXUIZABOSAJDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-9(2)10-6-7-12-14(8-10)22-17-11-4-3-5-13(19)15(11)16(20)18(12,17)21/h3-9,17,21H,19H2,1-2H3.
What are the key properties of 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one?
1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one has a molecular weight of 295.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 154205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).