3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride

C9H12ClNO — CID 13376844

IUPAC3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCl.NC1CCc2cccc(O)c21
InChIInChI=1S/C9H11NO.ClH/c10-7-5-4-6-2-1-3-8(11)9(6)7;/h1-3,7,11H,4-5,10H2;1H
InChIKeyUGKNMTMPSNKFMK-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.76
Rot. Bonds

About 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride

3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride (PubChem CID 13376844) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride
PubChem CID13376844
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride
SMILESCl.NC1CCc2cccc(O)c21
InChIInChI=1S/C9H11NO.ClH/c10-7-5-4-6-2-1-3-8(11)9(6)7;/h1-3,7,11H,4-5,10H2;1H
InChIKeyUGKNMTMPSNKFMK-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The IUPAC name of 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride (CID 13376844) is 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride is Cl.NC1CCc2cccc(O)c21.
What is the InChIKey of 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride?
The InChIKey is UGKNMTMPSNKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-7-5-4-6-2-1-3-8(11)9(6)7;/h1-3,7,11H,4-5,10H2;1H.
What are the key properties of 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride?
3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dihydro-1H-inden-4-ol;hydrochloride is sourced from PubChem (CID 13376844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).