(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine

C8H15NO — CID 88719370

IUPAC(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine
SMILESCC/C=C/C/C(CC)=N/O
InChIInChI=1S/C8H15NO/c1-3-5-6-7-8(4-2)9-10/h5-6,10H,3-4,7H2,1-2H3/b6-5+,9-8+
InChIKeyUKGXIBLYBIRWLX-HHWLVVFRSA-N
MW141.21 g/mol
LogP2.58
Rot. Bonds4

About (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine

(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine (PubChem CID 88719370) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine
PubChem CID88719370
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine
SMILESCC/C=C/C/C(CC)=N/O
InChIInChI=1S/C8H15NO/c1-3-5-6-7-8(4-2)9-10/h5-6,10H,3-4,7H2,1-2H3/b6-5+,9-8+
InChIKeyUKGXIBLYBIRWLX-HHWLVVFRSA-N
XLogP2.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-oct-5-en-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine (CID 88719370) is (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine is CC/C=C/C/C(CC)=N/O.
What is the InChIKey of (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine?
The InChIKey is UKGXIBLYBIRWLX-HHWLVVFRSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-7-8(4-2)9-10/h5-6,10H,3-4,7H2,1-2H3/b6-5+,9-8+.
What are the key properties of (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine?
(NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine has a molecular weight of 141.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-oct-5-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 88719370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).