1-cyclopropyl-2-ethenyl-3-methylbenzene

C12H14 — CID 145207304

IUPAC1-cyclopropyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1C1CC1
InChIInChI=1S/C12H14/c1-3-11-9(2)5-4-6-12(11)10-7-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyKYHYLFAHWYTIIX-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.52
Rot. Bonds2

About 1-cyclopropyl-2-ethenyl-3-methylbenzene

1-cyclopropyl-2-ethenyl-3-methylbenzene (PubChem CID 145207304) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethenyl-3-methylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-2-ethenyl-3-methylbenzene
PubChem CID145207304
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-cyclopropyl-2-ethenyl-3-methylbenzene
SMILESC=Cc1c(C)cccc1C1CC1
InChIInChI=1S/C12H14/c1-3-11-9(2)5-4-6-12(11)10-7-8-10/h3-6,10H,1,7-8H2,2H3
InChIKeyKYHYLFAHWYTIIX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
1-methyl-2-(4-prop-2-enylcyclohexyl)benzene
CID 173416381
1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
CID 144560479
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
2-bromo-1-cyclopropyl-3-ethenylbenzene
CID 118269044
1-[4-(ethenoxymethyl)cyclohexyl]-2-methylbenzene
CID 174875456
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
1,3-dicyclopropyl-2-(2,2-dibromoethenyl)benzene
CID 58951765
(2,3-dimethylphenyl)cyclodecane
CID 21161883
N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene
CID 89271793
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethenyl-3-methylbenzene?
The IUPAC name of 1-cyclopropyl-2-ethenyl-3-methylbenzene (CID 145207304) is 1-cyclopropyl-2-ethenyl-3-methylbenzene.
What is the SMILES notation for 1-cyclopropyl-2-ethenyl-3-methylbenzene?
The canonical SMILES for 1-cyclopropyl-2-ethenyl-3-methylbenzene is C=Cc1c(C)cccc1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethenyl-3-methylbenzene?
The InChIKey is KYHYLFAHWYTIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-11-9(2)5-4-6-12(11)10-7-8-10/h3-6,10H,1,7-8H2,2H3.
What are the key properties of 1-cyclopropyl-2-ethenyl-3-methylbenzene?
1-cyclopropyl-2-ethenyl-3-methylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethenyl-3-methylbenzene is sourced from PubChem (CID 145207304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).