(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one

C15H10ClNO3 — CID 156895678

IUPAC(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one
SMILESNc1cccc2c1C(=O)C1c3ccc(Cl)cc3O[C@]21O
InChIInChI=1S/C15H10ClNO3/c16-7-4-5-8-11(6-7)20-15(19)9-2-1-3-10(17)12(9)14(18)13(8)15/h1-6,13,19H,17H2/t13?,15-/m1/s1
InChIKeyOBYYWJDCCWEFFM-AWKYBWMHSA-N
MW287.70 g/mol
LogP2.44
Rot. Bonds

About (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one

(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one (PubChem CID 156895678) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one
PubChem CID156895678
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one
SMILESNc1cccc2c1C(=O)C1c3ccc(Cl)cc3O[C@]21O
InChIInChI=1S/C15H10ClNO3/c16-7-4-5-8-11(6-7)20-15(19)9-2-1-3-10(17)12(9)14(18)13(8)15/h1-6,13,19H,17H2/t13?,15-/m1/s1
InChIKeyOBYYWJDCCWEFFM-AWKYBWMHSA-N
XLogP2.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one with MolForge

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Related Compounds

2-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-4-chlorobenzamide
CID 151038554
4-amino-2-(2,5-dichlorobenzoyl)isoindole-1,3-dione
CID 2420069
CID 156895593
CID 156895593
1-amino-7-ethyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
CID 86716866
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
tert-butyl N-[(4bR,9bR)-1-amino-7-bromo-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 156895606
tert-butyl N-[(4bR,9bR)-1-amino-4b-hydroxy-7-[(2R)-2-methylcyclopropyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamate
CID 160921442
7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82388879
1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 138660555
7,9b-dichloro-4b-hydroxy-4-nitroindeno[1,2-b][1]benzofuran-10-one
CID 156895674
1-amino-9b-hydroxy-7-propan-2-yl-4bH-indeno[1,2-b][1]benzofuran-10-one
CID 154205419
(3R)-6-chloro-3-hydroxy-3-(trifluoromethyl)-2-benzofuran-1-one
CID 124789520

Frequently Asked Questions

What is the IUPAC name of (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one (CID 156895678) is (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one is Nc1cccc2c1C(=O)C1c3ccc(Cl)cc3O[C@]21O.
What is the InChIKey of (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one?
The InChIKey is OBYYWJDCCWEFFM-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-7-4-5-8-11(6-7)20-15(19)9-2-1-3-10(17)12(9)14(18)13(8)15/h1-6,13,19H,17H2/t13?,15-/m1/s1.
What are the key properties of (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one?
(4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one has a molecular weight of 287.70 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS)-1-amino-7-chloro-4b-hydroxy-9bH-indeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 156895678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).