N-(2-ethyloxan-4-ylidene)hydroxylamine

C7H13NO2 — CID 77021019

IUPACN-(2-ethyloxan-4-ylidene)hydroxylamine
SMILESCCC1CC(=NO)CCO1
InChIInChI=1S/C7H13NO2/c1-2-7-5-6(8-9)3-4-10-7/h7,9H,2-5H2,1H3
InChIKeyXRUVGIPPKCUZNP-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.41
Rot. Bonds1

About N-(2-ethyloxan-4-ylidene)hydroxylamine

N-(2-ethyloxan-4-ylidene)hydroxylamine (PubChem CID 77021019) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(2-ethyloxan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-ethyloxan-4-ylidene)hydroxylamine
PubChem CID77021019
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(2-ethyloxan-4-ylidene)hydroxylamine
SMILESCCC1CC(=NO)CCO1
InChIInChI=1S/C7H13NO2/c1-2-7-5-6(8-9)3-4-10-7/h7,9H,2-5H2,1H3
InChIKeyXRUVGIPPKCUZNP-UHFFFAOYSA-N
XLogP1.41
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.41
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-ethyloxan-4-ylidene)hydroxylamine?
The IUPAC name of N-(2-ethyloxan-4-ylidene)hydroxylamine (CID 77021019) is N-(2-ethyloxan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-ethyloxan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2-ethyloxan-4-ylidene)hydroxylamine is CCC1CC(=NO)CCO1.
What is the InChIKey of N-(2-ethyloxan-4-ylidene)hydroxylamine?
The InChIKey is XRUVGIPPKCUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7-5-6(8-9)3-4-10-7/h7,9H,2-5H2,1H3.
What are the key properties of N-(2-ethyloxan-4-ylidene)hydroxylamine?
N-(2-ethyloxan-4-ylidene)hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyloxan-4-ylidene)hydroxylamine is sourced from PubChem (CID 77021019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).