(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene

C13H12 — CID 139888618

IUPAC(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
SMILESCC1=CC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H12/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJELOGUAFRXKECS-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.59
Rot. Bonds1

About (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene

(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene (PubChem CID 139888618) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene.

Molecular Properties

Compound Name(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
PubChem CID139888618
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
SMILESCC1=CC(=Cc2ccccc2)C=C1
InChIInChI=1S/C13H12/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyJELOGUAFRXKECS-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

(4-benzylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
CID 59057581
(2E)-2-benzylidene-4-methylpyrrole
CID 163427119
4-benzylidene-2,6-di(propan-2-yl)cyclohexa-2,5-dien-1-one
CID 71396191
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
methyl (4Z)-4-benzylidenepyrrol-1-ium-2-carboxylate
CID 164681202
2,4-dibenzylidene-1,3-dithietane
CID 101088005
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
dimethyl 4-benzylidene-1-methylselenopyran-1-ium-2,6-dicarboxylate
CID 15880538
diethyl 5-benzylidene-1,3-dihydropentalene-2,2-dicarboxylate
CID 10871472
[(Z)-[(4Z)-4-benzylidene-2,3-dibromocyclobut-2-en-1-ylidene]methyl]benzene
CID 53381218

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene?
The IUPAC name of (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene (CID 139888618) is (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene.
What is the SMILES notation for (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene?
The canonical SMILES for (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene is CC1=CC(=Cc2ccccc2)C=C1.
What is the InChIKey of (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene?
The InChIKey is JELOGUAFRXKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene?
(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene 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 (3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene is sourced from PubChem (CID 139888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).