1-methyl-4-(1-prop-2-enylcyclopropyl)benzene

C13H16 — CID 142535981

IUPAC1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
SMILESC=CCC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16/c1-3-8-13(9-10-13)12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3
InChIKeyRVXWNVJCPHEVSW-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.60
Rot. Bonds3

About 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene

1-methyl-4-(1-prop-2-enylcyclopropyl)benzene (PubChem CID 142535981) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
PubChem CID142535981
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-4-(1-prop-2-enylcyclopropyl)benzene
SMILESC=CCC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16/c1-3-8-13(9-10-13)12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3
InChIKeyRVXWNVJCPHEVSW-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
4-(4-fluorophenyl)-1-[(1S)-1-(4-methylphenyl)ethyl]-4-prop-2-enylpiperidin-2-one
CID 67105163
N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
CID 59019999
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
1-[1-(isocyanatomethyl)cyclopropyl]-4-methylbenzene
CID 82075292
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one
CID 59019853
3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one
CID 59019777
2-[1-(4-methylphenyl)cyclohexyl]ethanamine
CID 82079127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene?
The IUPAC name of 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene (CID 142535981) is 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene.
What is the SMILES notation for 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene?
The canonical SMILES for 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene is C=CCC1(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene?
The InChIKey is RVXWNVJCPHEVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-8-13(9-10-13)12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3.
What are the key properties of 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene?
1-methyl-4-(1-prop-2-enylcyclopropyl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-prop-2-enylcyclopropyl)benzene is sourced from PubChem (CID 142535981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).