2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

C23H22 — CID 58246078

IUPAC2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)C1=C(C)C=CC1
InChIInChI=1S/C23H22/c1-16-7-5-11-22(16)17(2)13-20-10-6-12-23(20)21-14-18-8-3-4-9-19(18)15-21/h3-5,7-10,12,14H,2,6,11,13,15H2,1H3
InChIKeyXAXALBGOILMXNR-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.11
Rot. Bonds4

About 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene

2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (PubChem CID 58246078) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.

Molecular Properties

Compound Name2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
PubChem CID58246078
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
SMILESC=C(CC1=CCC=C1C1=Cc2ccccc2C1)C1=C(C)C=CC1
InChIInChI=1S/C23H22/c1-16-7-5-11-22(16)17(2)13-20-10-6-12-23(20)21-14-18-8-3-4-9-19(18)15-21/h3-5,7-10,12,14H,2,6,11,13,15H2,1H3
InChIKeyXAXALBGOILMXNR-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The IUPAC name of 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene (CID 58246078) is 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene.
What is the SMILES notation for 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The canonical SMILES for 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is C=C(CC1=CCC=C1C1=Cc2ccccc2C1)C1=C(C)C=CC1.
What is the InChIKey of 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
The InChIKey is XAXALBGOILMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-16-7-5-11-22(16)17(2)13-20-10-6-12-23(20)21-14-18-8-3-4-9-19(18)15-21/h3-5,7-10,12,14H,2,6,11,13,15H2,1H3.
What are the key properties of 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene?
2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene has a molecular weight of 298.43 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene is sourced from PubChem (CID 58246078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).