N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine

C16H13NO — CID 90482427

IUPACN-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2[C@H]2C[C@H]2c2ccccc21
InChIInChI=1S/C16H13NO/c18-17-16-12-7-3-1-5-10(12)14-9-15(14)11-6-2-4-8-13(11)16/h1-8,14-15,18H,9H2/b17-16-/t14-,15+/m0/s1
InChIKeyNOPRIQWDIMTGOH-IEDWGEEESA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds

About N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine

N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine (PubChem CID 90482427) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine
PubChem CID90482427
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC NameN-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine
SMILESO/N=C1\c2ccccc2[C@H]2C[C@H]2c2ccccc21
InChIInChI=1S/C16H13NO/c18-17-16-12-7-3-1-5-10(12)14-9-15(14)11-6-2-4-8-13(11)16/h1-8,14-15,18H,9H2/b17-16-/t14-,15+/m0/s1
InChIKeyNOPRIQWDIMTGOH-IEDWGEEESA-N
XLogP3.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
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 N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine?
The IUPAC name of N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine (CID 90482427) is N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine.
What is the SMILES notation for N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine?
The canonical SMILES for N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine is O/N=C1\c2ccccc2[C@H]2C[C@H]2c2ccccc21.
What is the InChIKey of N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine?
The InChIKey is NOPRIQWDIMTGOH-IEDWGEEESA-N. The full InChI is InChI=1S/C16H13NO/c18-17-16-12-7-3-1-5-10(12)14-9-15(14)11-6-2-4-8-13(11)16/h1-8,14-15,18H,9H2/b17-16-/t14-,15+/m0/s1.
What are the key properties of N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine?
N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine has a molecular weight of 235.29 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene]hydroxylamine is sourced from PubChem (CID 90482427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).