(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine

C7H12N2O — CID 118346492

IUPAC(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine
SMILESCN1CC2(CC/C2=N\O)C1
InChIInChI=1S/C7H12N2O/c1-9-4-7(5-9)3-2-6(7)8-10/h10H,2-5H2,1H3/b8-6+
InChIKeyQACUJJDFBRRGAO-SOFGYWHQSA-N
MW140.19 g/mol
LogP0.54
Rot. Bonds

About (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine

(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine (PubChem CID 118346492) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine
PubChem CID118346492
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine
SMILESCN1CC2(CC/C2=N\O)C1
InChIInChI=1S/C7H12N2O/c1-9-4-7(5-9)3-2-6(7)8-10/h10H,2-5H2,1H3/b8-6+
InChIKeyQACUJJDFBRRGAO-SOFGYWHQSA-N
XLogP0.54
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.54
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-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine (CID 118346492) is (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine is CN1CC2(CC/C2=N\O)C1.
What is the InChIKey of (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine?
The InChIKey is QACUJJDFBRRGAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-4-7(5-9)3-2-6(7)8-10/h10H,2-5H2,1H3/b8-6+.
What are the key properties of (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine?
(NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-methyl-2-azaspiro[3.3]heptan-7-ylidene)hydroxylamine is sourced from PubChem (CID 118346492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).