(NE)-N-(2-benzylcyclooctylidene)hydroxylamine

C15H21NO — CID 88834321

IUPAC(NE)-N-(2-benzylcyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-16-15-11-7-2-1-6-10-14(15)12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2/b16-15+
InChIKeyMMWYKSLZFXSEDF-FOCLMDBBSA-N
MW231.34 g/mol
LogP4.03
Rot. Bonds2

About (NE)-N-(2-benzylcyclooctylidene)hydroxylamine

(NE)-N-(2-benzylcyclooctylidene)hydroxylamine (PubChem CID 88834321) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (NE)-N-(2-benzylcyclooctylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-benzylcyclooctylidene)hydroxylamine
PubChem CID88834321
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(NE)-N-(2-benzylcyclooctylidene)hydroxylamine
SMILESO/N=C1\CCCCCCC1Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-16-15-11-7-2-1-6-10-14(15)12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2/b16-15+
InChIKeyMMWYKSLZFXSEDF-FOCLMDBBSA-N
XLogP4.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.03
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-benzylcyclooctylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-benzylcyclooctylidene)hydroxylamine (CID 88834321) is (NE)-N-(2-benzylcyclooctylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-benzylcyclooctylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-benzylcyclooctylidene)hydroxylamine is O/N=C1\CCCCCCC1Cc1ccccc1.
What is the InChIKey of (NE)-N-(2-benzylcyclooctylidene)hydroxylamine?
The InChIKey is MMWYKSLZFXSEDF-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H21NO/c17-16-15-11-7-2-1-6-10-14(15)12-13-8-4-3-5-9-13/h3-5,8-9,14,17H,1-2,6-7,10-12H2/b16-15+.
What are the key properties of (NE)-N-(2-benzylcyclooctylidene)hydroxylamine?
(NE)-N-(2-benzylcyclooctylidene)hydroxylamine has a molecular weight of 231.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-benzylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 88834321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).