(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine

C8H13NO2 — CID 45090914

IUPAC(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCOC1=C/C(=N/O)CC(C)C1
InChIInChI=1S/C8H13NO2/c1-6-3-7(9-10)5-8(4-6)11-2/h5-6,10H,3-4H2,1-2H3/b9-7+
InChIKeyMFZOODZWNQQXMH-VQHVLOKHSA-N
MW155.20 g/mol
LogP1.78
Rot. Bonds1

About (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine

(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 45090914) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID45090914
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCOC1=C/C(=N/O)CC(C)C1
InChIInChI=1S/C8H13NO2/c1-6-3-7(9-10)5-8(4-6)11-2/h5-6,10H,3-4H2,1-2H3/b9-7+
InChIKeyMFZOODZWNQQXMH-VQHVLOKHSA-N
XLogP1.78
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.78
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-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine (CID 45090914) is (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine is COC1=C/C(=N/O)CC(C)C1.
What is the InChIKey of (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is MFZOODZWNQQXMH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-7(9-10)5-8(4-6)11-2/h5-6,10H,3-4H2,1-2H3/b9-7+.
What are the key properties of (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine?
(NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methoxy-5-methylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 45090914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).