2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene

C14H11Br — CID 91299044

IUPAC2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
SMILESBrC1=Cc2ccccc2C1C1=CC=CC1
InChIInChI=1S/C14H11Br/c15-13-9-11-7-3-4-8-12(11)14(13)10-5-1-2-6-10/h1-5,7-9,14H,6H2
InChIKeyOKYNTQKJNAGSMM-UHFFFAOYSA-N
MW259.15 g/mol
LogP4.41
Rot. Bonds1

About 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene

2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene (PubChem CID 91299044) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene.

Molecular Properties

Compound Name2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
PubChem CID91299044
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
SMILESBrC1=Cc2ccccc2C1C1=CC=CC1
InChIInChI=1S/C14H11Br/c15-13-9-11-7-3-4-8-12(11)14(13)10-5-1-2-6-10/h1-5,7-9,14H,6H2
InChIKeyOKYNTQKJNAGSMM-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-cyclopenta-1,3-dien-1-yl-3-methyl-9H-fluorene
CID 22620643
1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
CID 87773412
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
CID 23174972
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87877757
9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride
CID 173293137
(2-bromo-1H-inden-1-yl)methyl carbonochloridate
CID 23326037
3-tert-butyl-9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propane;zirconium(4+);dichloride
CID 19937883
2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
CID 151729793
8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 174474656
4a,9-dihydro-4H-fluorene
CID 123273632
4,4a-dihydro-1H-fluoren-4-ylmethanol
CID 174985720
1-(cyclopenta-1,3-dien-1-ylmethyl)-1H-indene
CID 21188895

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene?
The IUPAC name of 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene (CID 91299044) is 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene.
What is the SMILES notation for 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene?
The canonical SMILES for 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene is BrC1=Cc2ccccc2C1C1=CC=CC1.
What is the InChIKey of 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene?
The InChIKey is OKYNTQKJNAGSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br/c15-13-9-11-7-3-4-8-12(11)14(13)10-5-1-2-6-10/h1-5,7-9,14H,6H2.
What are the key properties of 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene?
2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene has a molecular weight of 259.15 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene is sourced from PubChem (CID 91299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).