1-methyl-2-prop-2-enylcyclopropane

C7H12 — CID 524647

IUPAC1-methyl-2-prop-2-enylcyclopropane
SMILESC=CCC1CC1C
InChIInChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyGOCAZFDTNJXFHG-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-2-prop-2-enylcyclopropane

1-methyl-2-prop-2-enylcyclopropane (PubChem CID 524647) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylcyclopropane
PubChem CID524647
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1-methyl-2-prop-2-enylcyclopropane
SMILESC=CCC1CC1C
InChIInChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyGOCAZFDTNJXFHG-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enylcyclopropane?
The IUPAC name of 1-methyl-2-prop-2-enylcyclopropane (CID 524647) is 1-methyl-2-prop-2-enylcyclopropane.
What is the SMILES notation for 1-methyl-2-prop-2-enylcyclopropane?
The canonical SMILES for 1-methyl-2-prop-2-enylcyclopropane is C=CCC1CC1C.
What is the InChIKey of 1-methyl-2-prop-2-enylcyclopropane?
The InChIKey is GOCAZFDTNJXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enylcyclopropane?
1-methyl-2-prop-2-enylcyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylcyclopropane is sourced from PubChem (CID 524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).