N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine

C14H13NO2 — CID 22463213

IUPACN-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine
SMILESONC1c2ccccc2COc2ccccc21
InChIInChI=1S/C14H13NO2/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,14-16H,9H2
InChIKeyRPVWGIVSHPOMNJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.65
Rot. Bonds1

About N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine

N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine (PubChem CID 22463213) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine.

Molecular Properties

Compound NameN-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine
PubChem CID22463213
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine
SMILESONC1c2ccccc2COc2ccccc21
InChIInChI=1S/C14H13NO2/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,14-16H,9H2
InChIKeyRPVWGIVSHPOMNJ-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine?
The IUPAC name of N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine (CID 22463213) is N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine.
What is the SMILES notation for N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine?
The canonical SMILES for N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine is ONC1c2ccccc2COc2ccccc21.
What is the InChIKey of N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine?
The InChIKey is RPVWGIVSHPOMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-15-14-11-6-2-1-5-10(11)9-17-13-8-4-3-7-12(13)14/h1-8,14-16H,9H2.
What are the key properties of N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine?
N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)hydroxylamine is sourced from PubChem (CID 22463213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).