3-ethyl-1,2-dimethylcyclopropene

C7H12 — CID 90829468

IUPAC3-ethyl-1,2-dimethylcyclopropene
SMILESCCC1C(C)=C1C
InChIInChI=1S/C7H12/c1-4-7-5(2)6(7)3/h7H,4H2,1-3H3
InChIKeyNYJGKOYMFOSVFD-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds1

About 3-ethyl-1,2-dimethylcyclopropene

3-ethyl-1,2-dimethylcyclopropene (PubChem CID 90829468) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 3-ethyl-1,2-dimethylcyclopropene.

Molecular Properties

Compound Name3-ethyl-1,2-dimethylcyclopropene
PubChem CID90829468
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name3-ethyl-1,2-dimethylcyclopropene
SMILESCCC1C(C)=C1C
InChIInChI=1S/C7H12/c1-4-7-5(2)6(7)3/h7H,4H2,1-3H3
InChIKeyNYJGKOYMFOSVFD-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 3-ethyl-1,2-dimethylcyclopropene?
The IUPAC name of 3-ethyl-1,2-dimethylcyclopropene (CID 90829468) is 3-ethyl-1,2-dimethylcyclopropene.
What is the SMILES notation for 3-ethyl-1,2-dimethylcyclopropene?
The canonical SMILES for 3-ethyl-1,2-dimethylcyclopropene is CCC1C(C)=C1C.
What is the InChIKey of 3-ethyl-1,2-dimethylcyclopropene?
The InChIKey is NYJGKOYMFOSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-4-7-5(2)6(7)3/h7H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,2-dimethylcyclopropene?
3-ethyl-1,2-dimethylcyclopropene 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 3-ethyl-1,2-dimethylcyclopropene is sourced from PubChem (CID 90829468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).