(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine

C15H19NO — CID 125474318

IUPAC(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine
SMILESO/N=C(\C1CCCCC1)[C@@H]1Cc2ccccc21
InChIInChI=1S/C15H19NO/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h4-5,8-9,11,14,17H,1-3,6-7,10H2/b16-15+/t14-/m1/s1
InChIKeyQYNRCAPJZXMYPZ-HDUPEWFZSA-N
MW229.32 g/mol
LogP3.74
Rot. Bonds2

About (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine

(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine (PubChem CID 125474318) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine
PubChem CID125474318
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine
SMILESO/N=C(\C1CCCCC1)[C@@H]1Cc2ccccc21
InChIInChI=1S/C15H19NO/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h4-5,8-9,11,14,17H,1-3,6-7,10H2/b16-15+/t14-/m1/s1
InChIKeyQYNRCAPJZXMYPZ-HDUPEWFZSA-N
XLogP3.74
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.74
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-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine (CID 125474318) is (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine is O/N=C(\C1CCCCC1)[C@@H]1Cc2ccccc21.
What is the InChIKey of (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine?
The InChIKey is QYNRCAPJZXMYPZ-HDUPEWFZSA-N. The full InChI is InChI=1S/C15H19NO/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)14/h4-5,8-9,11,14,17H,1-3,6-7,10H2/b16-15+/t14-/m1/s1.
What are the key properties of (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine?
(NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine has a molecular weight of 229.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-cyclohexylmethylidene]hydroxylamine is sourced from PubChem (CID 125474318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).