1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene

C15H16 — CID 54447478

IUPAC1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC(=CC2CCC3C=CC=CC32)C=C1
InChIInChI=1S/C15H16/c1-2-6-12(5-1)11-14-10-9-13-7-3-4-8-15(13)14/h1-8,11,13-15H,9-10H2
InChIKeyWSOFOEZDRYKWPG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.81
Rot. Bonds1

About 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene

1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 54447478) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID54447478
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC(=CC2CCC3C=CC=CC32)C=C1
InChIInChI=1S/C15H16/c1-2-6-12(5-1)11-14-10-9-13-7-3-4-8-15(13)14/h1-8,11,13-15H,9-10H2
InChIKeyWSOFOEZDRYKWPG-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene (CID 54447478) is 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene is C1=CC(=CC2CCC3C=CC=CC32)C=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is WSOFOEZDRYKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-2-6-12(5-1)11-14-10-9-13-7-3-4-8-15(13)14/h1-8,11,13-15H,9-10H2.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene?
1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 196.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 54447478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).