N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine

C8H15NO2 — CID 76840244

IUPACN-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine
SMILESCCC1CC(=NO)CC(C)O1
InChIInChI=1S/C8H15NO2/c1-3-8-5-7(9-10)4-6(2)11-8/h6,8,10H,3-5H2,1-2H3
InChIKeyIFDKZOCFKJMGDV-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.79
Rot. Bonds1

About N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine

N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine (PubChem CID 76840244) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine
PubChem CID76840244
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine
SMILESCCC1CC(=NO)CC(C)O1
InChIInChI=1S/C8H15NO2/c1-3-8-5-7(9-10)4-6(2)11-8/h6,8,10H,3-5H2,1-2H3
InChIKeyIFDKZOCFKJMGDV-UHFFFAOYSA-N
XLogP1.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.79
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 N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine?
The IUPAC name of N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine (CID 76840244) is N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine is CCC1CC(=NO)CC(C)O1.
What is the InChIKey of N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine?
The InChIKey is IFDKZOCFKJMGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8-5-7(9-10)4-6(2)11-8/h6,8,10H,3-5H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine?
N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine has a molecular weight of 157.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine is sourced from PubChem (CID 76840244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).