1-cyclopenta-2,4-dien-1-ylideneethylbenzene

C13H12 — CID 592822

IUPAC1-cyclopenta-2,4-dien-1-ylideneethylbenzene
SMILESCC(=C1C=CC=C1)c1ccccc1
InChIInChI=1S/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyMBNCGVQBXYMZSC-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.59
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylideneethylbenzene

1-cyclopenta-2,4-dien-1-ylideneethylbenzene (PubChem CID 592822) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylideneethylbenzene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylideneethylbenzene
PubChem CID592822
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name1-cyclopenta-2,4-dien-1-ylideneethylbenzene
SMILESCC(=C1C=CC=C1)c1ccccc1
InChIInChI=1S/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyMBNCGVQBXYMZSC-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethylbenzene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethylbenzene (CID 592822) is 1-cyclopenta-2,4-dien-1-ylideneethylbenzene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylideneethylbenzene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylideneethylbenzene is CC(=C1C=CC=C1)c1ccccc1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylideneethylbenzene?
The InChIKey is MBNCGVQBXYMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylideneethylbenzene?
1-cyclopenta-2,4-dien-1-ylideneethylbenzene has a molecular weight of 168.24 g/mol, XLogP of 3.59, 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-ylideneethylbenzene is sourced from PubChem (CID 592822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).