1-(2-methylpropyl)cyclopropene

C7H12 — CID 19781337

IUPAC1-(2-methylpropyl)cyclopropene
SMILESCC(C)CC1=CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h3,6H,4-5H2,1-2H3
InChIKeyUUQTVGIDMGCISU-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-methylpropyl)cyclopropene

1-(2-methylpropyl)cyclopropene (PubChem CID 19781337) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1-(2-methylpropyl)cyclopropene.

Molecular Properties

Compound Name1-(2-methylpropyl)cyclopropene
PubChem CID19781337
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1-(2-methylpropyl)cyclopropene
SMILESCC(C)CC1=CC1
InChIInChI=1S/C7H12/c1-6(2)5-7-3-4-7/h3,6H,4-5H2,1-2H3
InChIKeyUUQTVGIDMGCISU-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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 1-(2-methylpropyl)cyclopropene?
The IUPAC name of 1-(2-methylpropyl)cyclopropene (CID 19781337) is 1-(2-methylpropyl)cyclopropene.
What is the SMILES notation for 1-(2-methylpropyl)cyclopropene?
The canonical SMILES for 1-(2-methylpropyl)cyclopropene is CC(C)CC1=CC1.
What is the InChIKey of 1-(2-methylpropyl)cyclopropene?
The InChIKey is UUQTVGIDMGCISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h3,6H,4-5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)cyclopropene?
1-(2-methylpropyl)cyclopropene has a molecular weight of 96.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)cyclopropene is sourced from PubChem (CID 19781337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).