O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine

C13H16N2O2 — CID 117336573

IUPACO-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2[nH]c3c(c2c1)COCC3
InChIInChI=1S/C13H16N2O2/c14-17-6-3-9-1-2-12-10(7-9)11-8-16-5-4-13(11)15-12/h1-2,7,15H,3-6,8,14H2
InChIKeyOXQAIUGNPQAQIP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds3

About O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine

O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine (PubChem CID 117336573) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine
PubChem CID117336573
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameO-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine
SMILESNOCCc1ccc2[nH]c3c(c2c1)COCC3
InChIInChI=1S/C13H16N2O2/c14-17-6-3-9-1-2-12-10(7-9)11-8-16-5-4-13(11)15-12/h1-2,7,15H,3-6,8,14H2
InChIKeyOXQAIUGNPQAQIP-UHFFFAOYSA-N
XLogP1.67
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine (CID 117336573) is O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine is NOCCc1ccc2[nH]c3c(c2c1)COCC3.
What is the InChIKey of O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine?
The InChIKey is OXQAIUGNPQAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-17-6-3-9-1-2-12-10(7-9)11-8-16-5-4-13(11)15-12/h1-2,7,15H,3-6,8,14H2.
What are the key properties of O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine?
O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine has a molecular weight of 232.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117336573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).