N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine

C16H14BrNO — CID 13194185

IUPACN-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine
SMILESC=C1c2ccccc2CC(NO)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrNO/c1-10-13-5-3-2-4-11(13)8-16(18-19)14-7-6-12(17)9-15(10)14/h2-7,9,16,18-19H,1,8H2
InChIKeyYJFXBUGSPNQDFY-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.09
Rot. Bonds1

About N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine

N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine (PubChem CID 13194185) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine
PubChem CID13194185
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC NameN-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine
SMILESC=C1c2ccccc2CC(NO)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrNO/c1-10-13-5-3-2-4-11(13)8-16(18-19)14-7-6-12(17)9-15(10)14/h2-7,9,16,18-19H,1,8H2
InChIKeyYJFXBUGSPNQDFY-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine?
The IUPAC name of N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine (CID 13194185) is N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine.
What is the SMILES notation for N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine?
The canonical SMILES for N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine is C=C1c2ccccc2CC(NO)c2ccc(Br)cc21.
What is the InChIKey of N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine?
The InChIKey is YJFXBUGSPNQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-10-13-5-3-2-4-11(13)8-16(18-19)14-7-6-12(17)9-15(10)14/h2-7,9,16,18-19H,1,8H2.
What are the key properties of N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine?
N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine has a molecular weight of 316.20 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)hydroxylamine is sourced from PubChem (CID 13194185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).