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

C13H21NO — CID 22150579

IUPAC(NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine
SMILESCC(C)CC1/C(=N\O)C2(C)CCC=CC12
InChIInChI=1S/C13H21NO/c1-9(2)8-10-11-6-4-5-7-13(11,3)12(10)14-15/h4,6,9-11,15H,5,7-8H2,1-3H3/b14-12+
InChIKeyAGMJMRBPKCHGHB-WYMLVPIESA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds2

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

(NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine (PubChem CID 22150579) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine
PubChem CID22150579
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine
SMILESCC(C)CC1/C(=N\O)C2(C)CCC=CC12
InChIInChI=1S/C13H21NO/c1-9(2)8-10-11-6-4-5-7-13(11,3)12(10)14-15/h4,6,9-11,15H,5,7-8H2,1-3H3/b14-12+
InChIKeyAGMJMRBPKCHGHB-WYMLVPIESA-N
XLogP3.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine (CID 22150579) is (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine is CC(C)CC1/C(=N\O)C2(C)CCC=CC12.
What is the InChIKey of (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine?
The InChIKey is AGMJMRBPKCHGHB-WYMLVPIESA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)8-10-11-6-4-5-7-13(11,3)12(10)14-15/h4,6,9-11,15H,5,7-8H2,1-3H3/b14-12+.
What are the key properties of (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine?
(NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6-methyl-8-(2-methylpropyl)-7-bicyclo[4.2.0]oct-2-enylidene]hydroxylamine is sourced from PubChem (CID 22150579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).