9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C16H11Br — CID 10107850

IUPAC9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC=C1c2ccccc2C=C(Br)c2ccccc21
InChIInChI=1S/C16H11Br/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-10H,1H2
InChIKeyNMENGYONQPCDED-UHFFFAOYSA-N
MW283.17 g/mol
LogP4.95
Rot. Bonds

About 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 10107850) has the molecular formula C16H11Br and a molecular weight of 283.17 g/mol. Its IUPAC name is 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID10107850
Molecular FormulaC16H11Br
Molecular Weight283.17 g/mol
Exact Mass282.00
IUPAC Name9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC=C1c2ccccc2C=C(Br)c2ccccc21
InChIInChI=1S/C16H11Br/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-10H,1H2
InChIKeyNMENGYONQPCDED-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 10107850) is 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is C=C1c2ccccc2C=C(Br)c2ccccc21.
What is the InChIKey of 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is NMENGYONQPCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br/c1-11-13-7-3-2-6-12(13)10-16(17)15-9-5-4-8-14(11)15/h2-10H,1H2.
What are the key properties of 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 283.17 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-methylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 10107850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).