6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide

C9H10BrNO2 — CID 67353461

IUPAC6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide
SMILESBr.Nc1ccc2c(c1O)C(=O)CC2
InChIInChI=1S/C9H9NO2.BrH/c10-6-3-1-5-2-4-7(11)8(5)9(6)12;/h1,3,12H,2,4,10H2;1H
InChIKeyXWOHVAGYWNXXRD-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.68
Rot. Bonds

About 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide

6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide (PubChem CID 67353461) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide.

Molecular Properties

Compound Name6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide
PubChem CID67353461
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide
SMILESBr.Nc1ccc2c(c1O)C(=O)CC2
InChIInChI=1S/C9H9NO2.BrH/c10-6-3-1-5-2-4-7(11)8(5)9(6)12;/h1,3,12H,2,4,10H2;1H
InChIKeyXWOHVAGYWNXXRD-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,6,7-tetrahydroindeno[7,6-g]indene-3,8-dione
CID 118516621
2,3,6,7,8,9-hexahydrocyclopenta[a]naphthalen-1-one
CID 640563
9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 171477355
6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84651923
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
7-ethyl-6-methyl-2,3-dihydroinden-1-one
CID 55297310
4-nitro-3-oxo-1,2-dihydroinden-5-olate
CID 6946836
7-fluoro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 66803651
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
7-bromo-4-hydroxy-2,3-dihydroinden-1-one
CID 20545961
9-hydroxy-2,3-dihydrophenalen-1-one
CID 145294882

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide?
The IUPAC name of 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide (CID 67353461) is 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide.
What is the SMILES notation for 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide?
The canonical SMILES for 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide is Br.Nc1ccc2c(c1O)C(=O)CC2.
What is the InChIKey of 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide?
The InChIKey is XWOHVAGYWNXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.BrH/c10-6-3-1-5-2-4-7(11)8(5)9(6)12;/h1,3,12H,2,4,10H2;1H.
What are the key properties of 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide?
6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide has a molecular weight of 244.09 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-hydroxy-2,3-dihydroinden-1-one;hydrobromide is sourced from PubChem (CID 67353461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).