2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene

C21H20 — CID 21254346

IUPAC2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
SMILESCCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3
InChIKeyVBYRTKKZPSFSQE-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.55
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene

2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene (PubChem CID 21254346) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
PubChem CID21254346
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
SMILESCCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3
InChIKeyVBYRTKKZPSFSQE-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene (CID 21254346) is 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene is CCCc1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
The InChIKey is VBYRTKKZPSFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-2-7-19-18(15-8-3-4-9-15)12-13-20-17-11-6-5-10-16(17)14-21(19)20/h3-6,8,10-13H,2,7,9,14H2,1H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene?
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene has a molecular weight of 272.39 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene is sourced from PubChem (CID 21254346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).