1-(hydroxyamino)-2,3-dihydroinden-1-ol

C9H11NO2 — CID 91318746

IUPAC1-(hydroxyamino)-2,3-dihydroinden-1-ol
SMILESONC1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO2/c11-9(10-12)6-5-7-3-1-2-4-8(7)9/h1-4,10-12H,5-6H2
InChIKeyAQNDHFKFXXMTSM-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.76
Rot. Bonds1

About 1-(hydroxyamino)-2,3-dihydroinden-1-ol

1-(hydroxyamino)-2,3-dihydroinden-1-ol (PubChem CID 91318746) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(hydroxyamino)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(hydroxyamino)-2,3-dihydroinden-1-ol
PubChem CID91318746
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(hydroxyamino)-2,3-dihydroinden-1-ol
SMILESONC1(O)CCc2ccccc21
InChIInChI=1S/C9H11NO2/c11-9(10-12)6-5-7-3-1-2-4-8(7)9/h1-4,10-12H,5-6H2
InChIKeyAQNDHFKFXXMTSM-UHFFFAOYSA-N
XLogP0.76
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
Aminoindanol
CID 19357388
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
Oxy-aminoindanol
CID 19367757
(1r,2s)-cis-Aminoindanol
CID 21032378
1-Amino-naphthol
CID 21568540
1H-Inden-1-ol, 1-amino-2,3-dihydro-, (1S)-
CID 34178363
(1s)-Amino-(2r)-indandiol
CID 67556728
(3R)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 117734362
1-Amino-5-fluoro-2,3-dihydroinden-1-ol
CID 153908848
1-Amino-2,3-dihydroinden-1-ol;2,2,2-trifluoroacetic acid
CID 173126833

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(hydroxyamino)-2,3-dihydroinden-1-ol (CID 91318746) is 1-(hydroxyamino)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(hydroxyamino)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(hydroxyamino)-2,3-dihydroinden-1-ol is ONC1(O)CCc2ccccc21.
What is the InChIKey of 1-(hydroxyamino)-2,3-dihydroinden-1-ol?
The InChIKey is AQNDHFKFXXMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-9(10-12)6-5-7-3-1-2-4-8(7)9/h1-4,10-12H,5-6H2.
What are the key properties of 1-(hydroxyamino)-2,3-dihydroinden-1-ol?
1-(hydroxyamino)-2,3-dihydroinden-1-ol has a molecular weight of 165.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 91318746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).