N-(oxepan-3-ylidene)hydroxylamine

C6H11NO2 — CID 162523800

IUPACN-(oxepan-3-ylidene)hydroxylamine
SMILESON=C1CCCCOC1
InChIInChI=1S/C6H11NO2/c8-7-6-3-1-2-4-9-5-6/h8H,1-5H2
InChIKeyKISVGPFIDONEBI-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.02
Rot. Bonds

About N-(oxepan-3-ylidene)hydroxylamine

N-(oxepan-3-ylidene)hydroxylamine (PubChem CID 162523800) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(oxepan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(oxepan-3-ylidene)hydroxylamine
PubChem CID162523800
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(oxepan-3-ylidene)hydroxylamine
SMILESON=C1CCCCOC1
InChIInChI=1S/C6H11NO2/c8-7-6-3-1-2-4-9-5-6/h8H,1-5H2
InChIKeyKISVGPFIDONEBI-UHFFFAOYSA-N
XLogP1.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.02
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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Related Compounds

N-(oxepan-4-ylidene)hydroxylamine
CID 71758107
(2Z)-7-oxabicyclo[4.1.0]heptan-2-one oxime
CID 24976275
Caprolactone oxime
CID 168477595
(NZ)-N-(oxepan-3-ylidene)hydroxylamine
CID 169081970
(NE)-N-(oxepan-4-ylidene)hydroxylamine
CID 65080772
N-Oxepan-4-ylidenehydroxylamine
CID 77055370
(E)-N-prop-2-ynoxyoxepan-4-imine
CID 133622453
(Z)-N-but-2-ynoxyoxepan-4-imine
CID 133627642
(Z)-N-methoxyoxepan-4-imine
CID 133683124

Frequently Asked Questions

What is the IUPAC name of N-(oxepan-3-ylidene)hydroxylamine?
The IUPAC name of N-(oxepan-3-ylidene)hydroxylamine (CID 162523800) is N-(oxepan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(oxepan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(oxepan-3-ylidene)hydroxylamine is ON=C1CCCCOC1.
What is the InChIKey of N-(oxepan-3-ylidene)hydroxylamine?
The InChIKey is KISVGPFIDONEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-7-6-3-1-2-4-9-5-6/h8H,1-5H2.
What are the key properties of N-(oxepan-3-ylidene)hydroxylamine?
N-(oxepan-3-ylidene)hydroxylamine has a molecular weight of 129.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-3-ylidene)hydroxylamine is sourced from PubChem (CID 162523800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).