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

C11H16ClNO — CID 127038189

IUPACO-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCC1Cc2ccccc2C1
InChIInChI=1S/C11H15NO.ClH/c12-13-6-5-9-7-10-3-1-2-4-11(10)8-9;/h1-4,9H,5-8,12H2;1H
InChIKeyZUHFDMMFLMMALP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.10
Rot. Bonds3

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

O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride (PubChem CID 127038189) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride
PubChem CID127038189
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameO-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCC1Cc2ccccc2C1
InChIInChI=1S/C11H15NO.ClH/c12-13-6-5-9-7-10-3-1-2-4-11(10)8-9;/h1-4,9H,5-8,12H2;1H
InChIKeyZUHFDMMFLMMALP-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.10
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-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride (CID 127038189) is O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride is Cl.NOCCC1Cc2ccccc2C1.
What is the InChIKey of O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride?
The InChIKey is ZUHFDMMFLMMALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-13-6-5-9-7-10-3-1-2-4-11(10)8-9;/h1-4,9H,5-8,12H2;1H.
What are the key properties of O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride?
O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 127038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).