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

C9H11NO — CID 13376843

IUPAC3-amino-2,3-dihydro-1H-inden-4-ol
SMILESNC1CCc2cccc(O)c21
InChIInChI=1S/C9H11NO/c10-7-5-4-6-2-1-3-8(11)9(6)7/h1-3,7,11H,4-5,10H2
InChIKeyMAYMVHAVYDCEHG-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.34
Rot. Bonds

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

3-amino-2,3-dihydro-1H-inden-4-ol (PubChem CID 13376843) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-amino-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-amino-2,3-dihydro-1H-inden-4-ol
PubChem CID13376843
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-amino-2,3-dihydro-1H-inden-4-ol
SMILESNC1CCc2cccc(O)c21
InChIInChI=1S/C9H11NO/c10-7-5-4-6-2-1-3-8(11)9(6)7/h1-3,7,11H,4-5,10H2
InChIKeyMAYMVHAVYDCEHG-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.34
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?
The IUPAC name of 3-amino-2,3-dihydro-1H-inden-4-ol (CID 13376843) is 3-amino-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-amino-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-amino-2,3-dihydro-1H-inden-4-ol is NC1CCc2cccc(O)c21.
What is the InChIKey of 3-amino-2,3-dihydro-1H-inden-4-ol?
The InChIKey is MAYMVHAVYDCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-7-5-4-6-2-1-3-8(11)9(6)7/h1-3,7,11H,4-5,10H2.
What are the key properties of 3-amino-2,3-dihydro-1H-inden-4-ol?
3-amino-2,3-dihydro-1H-inden-4-ol has a molecular weight of 149.19 g/mol, XLogP of 1.34, 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 is sourced from PubChem (CID 13376843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).