9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene

C22H22 — CID 175187647

IUPAC9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene
SMILESCC1(CC2=CC3CCC2C3)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22/c1-22(14-17-13-15-10-11-16(17)12-15)20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,13,15-16H,10-12,14H2,1H3
InChIKeyCJSVRRXFGYQWEJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.72
Rot. Bonds2

About 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene

9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene (PubChem CID 175187647) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene.

Molecular Properties

Compound Name9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene
PubChem CID175187647
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene
SMILESCC1(CC2=CC3CCC2C3)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22/c1-22(14-17-13-15-10-11-16(17)12-15)20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,13,15-16H,10-12,14H2,1H3
InChIKeyCJSVRRXFGYQWEJ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene?
The IUPAC name of 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene (CID 175187647) is 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene.
What is the SMILES notation for 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene?
The canonical SMILES for 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene is CC1(CC2=CC3CCC2C3)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene?
The InChIKey is CJSVRRXFGYQWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-22(14-17-13-15-10-11-16(17)12-15)20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,13,15-16H,10-12,14H2,1H3.
What are the key properties of 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene?
9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene has a molecular weight of 286.42 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bicyclo[2.2.1]hept-2-enylmethyl)-9-methylfluorene is sourced from PubChem (CID 175187647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).