(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine

C15H25NO — CID 22150563

IUPAC(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
SMILESCCCCCCC1/C(=N\O)C2(C)CCC=CC12
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-12-13-10-7-8-11-15(13,2)14(12)16-17/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3/b16-14+
InChIKeyVCHVDYLGPUVQSM-JQIJEIRASA-N
MW235.37 g/mol
LogP4.39
Rot. Bonds5

About (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine

(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine (PubChem CID 22150563) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
PubChem CID22150563
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
SMILESCCCCCCC1/C(=N\O)C2(C)CCC=CC12
InChIInChI=1S/C15H25NO/c1-3-4-5-6-9-12-13-10-7-8-11-15(13,2)14(12)16-17/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3/b16-14+
InChIKeyVCHVDYLGPUVQSM-JQIJEIRASA-N
XLogP4.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine (CID 22150563) is (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine is CCCCCCC1/C(=N\O)C2(C)CCC=CC12.
What is the InChIKey of (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The InChIKey is VCHVDYLGPUVQSM-JQIJEIRASA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-9-12-13-10-7-8-11-15(13,2)14(12)16-17/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3/b16-14+.
What are the key properties of (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
(NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine has a molecular weight of 235.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(8-hexyl-6-methyl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine is sourced from PubChem (CID 22150563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).