1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene

C19H20 — CID 91100379

IUPAC1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene
SMILESC1=CCC(C2(C3C=Cc4ccccc43)CCCC2)=C1
InChIInChI=1S/C19H20/c1-4-10-17-15(7-1)11-12-18(17)19(13-5-6-14-19)16-8-2-3-9-16/h1-4,7-8,10-12,18H,5-6,9,13-14H2
InChIKeyKKBHGIXMSMRPOR-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.24
Rot. Bonds2

About 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene

1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene (PubChem CID 91100379) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene
PubChem CID91100379
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene
SMILESC1=CCC(C2(C3C=Cc4ccccc43)CCCC2)=C1
InChIInChI=1S/C19H20/c1-4-10-17-15(7-1)11-12-18(17)19(13-5-6-14-19)16-8-2-3-9-16/h1-4,7-8,10-12,18H,5-6,9,13-14H2
InChIKeyKKBHGIXMSMRPOR-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene (CID 91100379) is 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene is C1=CCC(C2(C3C=Cc4ccccc43)CCCC2)=C1.
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene?
The InChIKey is KKBHGIXMSMRPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-4-10-17-15(7-1)11-12-18(17)19(13-5-6-14-19)16-8-2-3-9-16/h1-4,7-8,10-12,18H,5-6,9,13-14H2.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene?
1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene has a molecular weight of 248.37 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylcyclopentyl)-1H-indene is sourced from PubChem (CID 91100379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).