1-ethenyl-3-(2-methylcyclopropyl)benzene

C12H14 — CID 143843657

IUPAC1-ethenyl-3-(2-methylcyclopropyl)benzene
SMILESC=Cc1cccc(C2CC2C)c1
InChIInChI=1S/C12H14/c1-3-10-5-4-6-11(8-10)12-7-9(12)2/h3-6,8-9,12H,1,7H2,2H3
InChIKeyCXAGMKGXIYLGAL-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.45
Rot. Bonds2

About 1-ethenyl-3-(2-methylcyclopropyl)benzene

1-ethenyl-3-(2-methylcyclopropyl)benzene (PubChem CID 143843657) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-ethenyl-3-(2-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-(2-methylcyclopropyl)benzene
PubChem CID143843657
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-ethenyl-3-(2-methylcyclopropyl)benzene
SMILESC=Cc1cccc(C2CC2C)c1
InChIInChI=1S/C12H14/c1-3-10-5-4-6-11(8-10)12-7-9(12)2/h3-6,8-9,12H,1,7H2,2H3
InChIKeyCXAGMKGXIYLGAL-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(2-methylcyclopropyl)benzene?
The IUPAC name of 1-ethenyl-3-(2-methylcyclopropyl)benzene (CID 143843657) is 1-ethenyl-3-(2-methylcyclopropyl)benzene.
What is the SMILES notation for 1-ethenyl-3-(2-methylcyclopropyl)benzene?
The canonical SMILES for 1-ethenyl-3-(2-methylcyclopropyl)benzene is C=Cc1cccc(C2CC2C)c1.
What is the InChIKey of 1-ethenyl-3-(2-methylcyclopropyl)benzene?
The InChIKey is CXAGMKGXIYLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-10-5-4-6-11(8-10)12-7-9(12)2/h3-6,8-9,12H,1,7H2,2H3.
What are the key properties of 1-ethenyl-3-(2-methylcyclopropyl)benzene?
1-ethenyl-3-(2-methylcyclopropyl)benzene has a molecular weight of 158.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(2-methylcyclopropyl)benzene is sourced from PubChem (CID 143843657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).