1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene

C11H12 — CID 121221553

IUPAC1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
SMILESCc1ccc(C2(C)C=C2)cc1
InChIInChI=1S/C11H12/c1-9-3-5-10(6-4-9)11(2)7-8-11/h3-8H,1-2H3
InChIKeyXBEURXXGTKQPEJ-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.82
Rot. Bonds1

About 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene

1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene (PubChem CID 121221553) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
PubChem CID121221553
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene
SMILESCc1ccc(C2(C)C=C2)cc1
InChIInChI=1S/C11H12/c1-9-3-5-10(6-4-9)11(2)7-8-11/h3-8H,1-2H3
InChIKeyXBEURXXGTKQPEJ-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis[4-(4-iodophenyl)phenyl]-3,6-dimethylcyclohexa-1,4-diene
CID 160620246
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
1-methyl-4-[1-(trifluoromethyl)cycloprop-2-en-1-yl]benzene
CID 123450988
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
2,2-bis(4-methylphenyl)oxirane
CID 12692604
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
CID 134922179
lithium;hydride;1,4-xylene
CID 173349078
potassium;hydride;1,4-xylene
CID 173420414
benzene;bis(1,4-xylene)
CID 159472747

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene?
The IUPAC name of 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene (CID 121221553) is 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene.
What is the SMILES notation for 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene?
The canonical SMILES for 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene is Cc1ccc(C2(C)C=C2)cc1.
What is the InChIKey of 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene?
The InChIKey is XBEURXXGTKQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-9-3-5-10(6-4-9)11(2)7-8-11/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene?
1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene has a molecular weight of 144.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylcycloprop-2-en-1-yl)benzene is sourced from PubChem (CID 121221553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).