(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine

C7H11NO — CID 12936816

IUPAC(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=CCCC/C1=N\O
InChIInChI=1S/C7H11NO/c1-6-4-2-3-5-7(6)8-9/h4,9H,2-3,5H2,1H3/b8-7+
InChIKeyIOWQGZJAPAFKSL-BQYQJAHWSA-N
MW125.17 g/mol
LogP1.95
Rot. Bonds

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

(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 12936816) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID12936816
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1=CCCC/C1=N\O
InChIInChI=1S/C7H11NO/c1-6-4-2-3-5-7(6)8-9/h4,9H,2-3,5H2,1H3/b8-7+
InChIKeyIOWQGZJAPAFKSL-BQYQJAHWSA-N
XLogP1.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine (CID 12936816) is (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine is CC1=CCCC/C1=N\O.
What is the InChIKey of (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is IOWQGZJAPAFKSL-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-2-3-5-7(6)8-9/h4,9H,2-3,5H2,1H3/b8-7+.
What are the key properties of (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine?
(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 125.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 12936816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).