2-methylprop-1-enylcyclopropane

C7H12 — CID 12950121

IUPAC2-methylprop-1-enylcyclopropane
SMILESCC(C)=CC1CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyKBBOLTBWRZESTH-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds1

About 2-methylprop-1-enylcyclopropane

2-methylprop-1-enylcyclopropane (PubChem CID 12950121) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 2-methylprop-1-enylcyclopropane.

Molecular Properties

Compound Name2-methylprop-1-enylcyclopropane
PubChem CID12950121
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name2-methylprop-1-enylcyclopropane
SMILESCC(C)=CC1CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyKBBOLTBWRZESTH-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.36
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 2-methylprop-1-enylcyclopropane?
The IUPAC name of 2-methylprop-1-enylcyclopropane (CID 12950121) is 2-methylprop-1-enylcyclopropane.
What is the SMILES notation for 2-methylprop-1-enylcyclopropane?
The canonical SMILES for 2-methylprop-1-enylcyclopropane is CC(C)=CC1CC1.
What is the InChIKey of 2-methylprop-1-enylcyclopropane?
The InChIKey is KBBOLTBWRZESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-methylprop-1-enylcyclopropane?
2-methylprop-1-enylcyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylcyclopropane is sourced from PubChem (CID 12950121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).