(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine

C9H15NO2 — CID 87909309

IUPAC(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine
SMILESCO/C1=C/CCCCC\C1=N/O
InChIInChI=1S/C9H15NO2/c1-12-9-7-5-3-2-4-6-8(9)10-11/h7,11H,2-6H2,1H3/b9-7+,10-8+
InChIKeyFIIYDLRITNGFDP-FIFLTTCUSA-N
MW169.22 g/mol
LogP2.31
Rot. Bonds1

About (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine

(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine (PubChem CID 87909309) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine
PubChem CID87909309
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine
SMILESCO/C1=C/CCCCC\C1=N/O
InChIInChI=1S/C9H15NO2/c1-12-9-7-5-3-2-4-6-8(9)10-11/h7,11H,2-6H2,1H3/b9-7+,10-8+
InChIKeyFIIYDLRITNGFDP-FIFLTTCUSA-N
XLogP2.31
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.31
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-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine (CID 87909309) is (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine is CO/C1=C/CCCCC\C1=N/O.
What is the InChIKey of (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine?
The InChIKey is FIIYDLRITNGFDP-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9-7-5-3-2-4-6-8(9)10-11/h7,11H,2-6H2,1H3/b9-7+,10-8+.
What are the key properties of (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine?
(NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine has a molecular weight of 169.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-methoxycyclooct-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 87909309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).