(NE)-N-(2-methoxycycloundecylidene)hydroxylamine

C12H23NO2 — CID 87909315

IUPAC(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
SMILESCOC1CCCCCCCCC/C1=N\O
InChIInChI=1S/C12H23NO2/c1-15-12-10-8-6-4-2-3-5-7-9-11(12)13-14/h12,14H,2-10H2,1H3/b13-11+
InChIKeyZWJRHVQWOAIEKL-ACCUITESSA-N
MW213.32 g/mol
LogP3.36
Rot. Bonds1

About (NE)-N-(2-methoxycycloundecylidene)hydroxylamine

(NE)-N-(2-methoxycycloundecylidene)hydroxylamine (PubChem CID 87909315) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (NE)-N-(2-methoxycycloundecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
PubChem CID87909315
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
SMILESCOC1CCCCCCCCC/C1=N\O
InChIInChI=1S/C12H23NO2/c1-15-12-10-8-6-4-2-3-5-7-9-11(12)13-14/h12,14H,2-10H2,1H3/b13-11+
InChIKeyZWJRHVQWOAIEKL-ACCUITESSA-N
XLogP3.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-(2-methoxycycloundecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methoxycycloundecylidene)hydroxylamine (CID 87909315) is (NE)-N-(2-methoxycycloundecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methoxycycloundecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methoxycycloundecylidene)hydroxylamine is COC1CCCCCCCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-methoxycycloundecylidene)hydroxylamine?
The InChIKey is ZWJRHVQWOAIEKL-ACCUITESSA-N. The full InChI is InChI=1S/C12H23NO2/c1-15-12-10-8-6-4-2-3-5-7-9-11(12)13-14/h12,14H,2-10H2,1H3/b13-11+.
What are the key properties of (NE)-N-(2-methoxycycloundecylidene)hydroxylamine?
(NE)-N-(2-methoxycycloundecylidene)hydroxylamine has a molecular weight of 213.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methoxycycloundecylidene)hydroxylamine is sourced from PubChem (CID 87909315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).