3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene

C22H20 — CID 102489808

IUPAC3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
SMILESC=CC(CC1=CCc2ccccc21)C1=CCc2ccccc21
InChIInChI=1S/C22H20/c1-2-16(22-14-13-18-8-4-6-10-21(18)22)15-19-12-11-17-7-3-5-9-20(17)19/h2-10,12,14,16H,1,11,13,15H2
InChIKeyOEUADTXILBKLCP-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.46
Rot. Bonds4

About 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene

3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene (PubChem CID 102489808) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene.

Molecular Properties

Compound Name3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
PubChem CID102489808
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
SMILESC=CC(CC1=CCc2ccccc21)C1=CCc2ccccc21
InChIInChI=1S/C22H20/c1-2-16(22-14-13-18-8-4-6-10-21(18)22)15-19-12-11-17-7-3-5-9-20(17)19/h2-10,12,14,16H,1,11,13,15H2
InChIKeyOEUADTXILBKLCP-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.46
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

3-(2-bromopropyl)-1H-indene
CID 23559641
3-but-3-enyl-1H-indene
CID 15878391
3-(chloromethyl)-1H-indene
CID 55301076
3-[(2S,5S)-6-fluoro-2,5-dimethylhexyl]-1H-indene
CID 157089800
methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
CID 58249638
1-(3H-inden-1-yl)-N-methylmethanamine
CID 105431281
ethane;1-(3H-inden-1-yl)ethanol;methane
CID 159608364
1-(3H-inden-1-yl)-N,N-dimethylmethanamine
CID 20658444
(2R)-4-(2,6-dihydroxyphenyl)-2-(3H-inden-1-ylmethyl)-4-oxobutanoic acid
CID 161203038
3-(3-bromobutan-2-yl)-1H-indene
CID 21495321
N-acetyl-N-(3H-inden-1-ylmethyl)prop-2-enamide
CID 163287223
3-(2-cyclopropylethyl)-1H-indene
CID 163857034

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene?
The IUPAC name of 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene (CID 102489808) is 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene.
What is the SMILES notation for 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene?
The canonical SMILES for 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene is C=CC(CC1=CCc2ccccc21)C1=CCc2ccccc21.
What is the InChIKey of 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene?
The InChIKey is OEUADTXILBKLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-2-16(22-14-13-18-8-4-6-10-21(18)22)15-19-12-11-17-7-3-5-9-20(17)19/h2-10,12,14,16H,1,11,13,15H2.
What are the key properties of 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene?
3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene has a molecular weight of 284.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene is sourced from PubChem (CID 102489808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).