O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride

C9H12ClNO — CID 127039550

IUPACO-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride
SMILESCl.NOC1CCc2ccccc21
InChIInChI=1S/C9H11NO.ClH/c10-11-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChIKeyNNOYTZGHEOWMSQ-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.99
Rot. Bonds1

About O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride

O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride (PubChem CID 127039550) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride
PubChem CID127039550
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC NameO-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride
SMILESCl.NOC1CCc2ccccc21
InChIInChI=1S/C9H11NO.ClH/c10-11-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChIKeyNNOYTZGHEOWMSQ-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride?
The IUPAC name of O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride (CID 127039550) is O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride is Cl.NOC1CCc2ccccc21.
What is the InChIKey of O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride?
The InChIKey is NNOYTZGHEOWMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-11-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H.
What are the key properties of O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride?
O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,3-dihydro-1H-inden-1-yl)hydroxylamine;hydrochloride is sourced from PubChem (CID 127039550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).