2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene

C21H24 — CID 91251395

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene
SMILESC1=CC2(C3Cc4ccccc4C3=C3CCCC3)CCC1C2
InChIInChI=1S/C21H24/c1-2-6-16(5-1)20-18-8-4-3-7-17(18)13-19(20)21-11-9-15(14-21)10-12-21/h3-4,7-9,11,15,19H,1-2,5-6,10,12-14H2
InChIKeyWZEQJLBHTQOWPJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.54
Rot. Bonds1

About 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene

2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene (PubChem CID 91251395) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene
PubChem CID91251395
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene
SMILESC1=CC2(C3Cc4ccccc4C3=C3CCCC3)CCC1C2
InChIInChI=1S/C21H24/c1-2-6-16(5-1)20-18-8-4-3-7-17(18)13-19(20)21-11-9-15(14-21)10-12-21/h3-4,7-9,11,15,19H,1-2,5-6,10,12-14H2
InChIKeyWZEQJLBHTQOWPJ-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylbicyclo[2.2.1]hept-2-ene
CID 22468352
1,2,3,4,9,10-hexahydroanthracene
CID 12777064
[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)cyclohexyl]carbamic acid
CID 71259256
6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
CID 14952510
1,2,3,4-tetrahydronaphthalene
CID 174531863
ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 143799538
2,3,3a,4-tetrahydrocyclopenta[a]indene
CID 15439194
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
7-cycloheptyl-5,6,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid
CID 163469121
1-(2-ethylphenyl)bicyclo[2.2.1]hept-2-ene
CID 54044423
2,3,4,4a,6,7-hexahydro-1H-isoquinolino[2,1-a]quinoline
CID 148547429
8-methyl-8-(1-methylcyclononyl)-6,7,9,10,10a,11-hexahydro-5aH-cyclohepta[b]naphthalen-5-one
CID 90983152

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene (CID 91251395) is 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene is C1=CC2(C3Cc4ccccc4C3=C3CCCC3)CCC1C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene?
The InChIKey is WZEQJLBHTQOWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-2-6-16(5-1)20-18-8-4-3-7-17(18)13-19(20)21-11-9-15(14-21)10-12-21/h3-4,7-9,11,15,19H,1-2,5-6,10,12-14H2.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene?
2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene has a molecular weight of 276.42 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene is sourced from PubChem (CID 91251395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).