1-ethyl-2-methylidene-3-propylcyclopropane

C9H16 — CID 123561937

IUPAC1-ethyl-2-methylidene-3-propylcyclopropane
SMILESC=C1C(CC)C1CCC
InChIInChI=1S/C9H16/c1-4-6-9-7(3)8(9)5-2/h8-9H,3-6H2,1-2H3
InChIKeyWUEPBVFCTCGINJ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds3

About 1-ethyl-2-methylidene-3-propylcyclopropane

1-ethyl-2-methylidene-3-propylcyclopropane (PubChem CID 123561937) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethyl-2-methylidene-3-propylcyclopropane.

Molecular Properties

Compound Name1-ethyl-2-methylidene-3-propylcyclopropane
PubChem CID123561937
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethyl-2-methylidene-3-propylcyclopropane
SMILESC=C1C(CC)C1CCC
InChIInChI=1S/C9H16/c1-4-6-9-7(3)8(9)5-2/h8-9H,3-6H2,1-2H3
InChIKeyWUEPBVFCTCGINJ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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-ethyl-2-methylidene-3-propylcyclopropane?
The IUPAC name of 1-ethyl-2-methylidene-3-propylcyclopropane (CID 123561937) is 1-ethyl-2-methylidene-3-propylcyclopropane.
What is the SMILES notation for 1-ethyl-2-methylidene-3-propylcyclopropane?
The canonical SMILES for 1-ethyl-2-methylidene-3-propylcyclopropane is C=C1C(CC)C1CCC.
What is the InChIKey of 1-ethyl-2-methylidene-3-propylcyclopropane?
The InChIKey is WUEPBVFCTCGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-6-9-7(3)8(9)5-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-2-methylidene-3-propylcyclopropane?
1-ethyl-2-methylidene-3-propylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylidene-3-propylcyclopropane is sourced from PubChem (CID 123561937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).