O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine

C11H15NO — CID 83482053

IUPACO-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2c(c1)CCC2
InChIInChI=1S/C11H15NO/c12-13-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7,12H2
InChIKeyPMMWXEVYSOCYSI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.61
Rot. Bonds3

About O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine

O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine (PubChem CID 83482053) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
PubChem CID83482053
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameO-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2c(c1)CCC2
InChIInChI=1S/C11H15NO/c12-13-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7,12H2
InChIKeyPMMWXEVYSOCYSI-UHFFFAOYSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.61
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-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine (CID 83482053) is O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine is NOCCc1ccc2c(c1)CCC2.
What is the InChIKey of O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine?
The InChIKey is PMMWXEVYSOCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-13-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7,12H2.
What are the key properties of O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine?
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 1.61, 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-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 83482053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).