7-amino-1H-inden-4-ol

C9H9NO — CID 23382234

IUPAC7-amino-1H-inden-4-ol
SMILESNc1ccc(O)c2c1CC=C2
InChIInChI=1S/C9H9NO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h1,3-5,11H,2,10H2
InChIKeyQWWYCXLJUJQHHY-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.54
Rot. Bonds

About 7-amino-1H-inden-4-ol

7-amino-1H-inden-4-ol (PubChem CID 23382234) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 7-amino-1H-inden-4-ol.

Molecular Properties

Compound Name7-amino-1H-inden-4-ol
PubChem CID23382234
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name7-amino-1H-inden-4-ol
SMILESNc1ccc(O)c2c1CC=C2
InChIInChI=1S/C9H9NO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h1,3-5,11H,2,10H2
InChIKeyQWWYCXLJUJQHHY-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1H-inden-4-ol?
The IUPAC name of 7-amino-1H-inden-4-ol (CID 23382234) is 7-amino-1H-inden-4-ol.
What is the SMILES notation for 7-amino-1H-inden-4-ol?
The canonical SMILES for 7-amino-1H-inden-4-ol is Nc1ccc(O)c2c1CC=C2.
What is the InChIKey of 7-amino-1H-inden-4-ol?
The InChIKey is QWWYCXLJUJQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h1,3-5,11H,2,10H2.
What are the key properties of 7-amino-1H-inden-4-ol?
7-amino-1H-inden-4-ol has a molecular weight of 147.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1H-inden-4-ol is sourced from PubChem (CID 23382234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).