but-1-ene;propylidenecyclopropane

C10H18 — CID 23054525

IUPACbut-1-ene;propylidenecyclopropane
SMILESC=CCC.CCC=C1CC1
InChIInChI=1S/C6H10.C4H8/c1-2-3-6-4-5-6;1-3-4-2/h3H,2,4-5H2,1H3;3H,1,4H2,2H3
InChIKeyGHZBIUYFQDMWCR-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds2

About but-1-ene;propylidenecyclopropane

but-1-ene;propylidenecyclopropane (PubChem CID 23054525) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is but-1-ene;propylidenecyclopropane.

Molecular Properties

Compound Namebut-1-ene;propylidenecyclopropane
PubChem CID23054525
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebut-1-ene;propylidenecyclopropane
SMILESC=CCC.CCC=C1CC1
InChIInChI=1S/C6H10.C4H8/c1-2-3-6-4-5-6;1-3-4-2/h3H,2,4-5H2,1H3;3H,1,4H2,2H3
InChIKeyGHZBIUYFQDMWCR-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
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 but-1-ene;propylidenecyclopropane?
The IUPAC name of but-1-ene;propylidenecyclopropane (CID 23054525) is but-1-ene;propylidenecyclopropane.
What is the SMILES notation for but-1-ene;propylidenecyclopropane?
The canonical SMILES for but-1-ene;propylidenecyclopropane is C=CCC.CCC=C1CC1.
What is the InChIKey of but-1-ene;propylidenecyclopropane?
The InChIKey is GHZBIUYFQDMWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C4H8/c1-2-3-6-4-5-6;1-3-4-2/h3H,2,4-5H2,1H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;propylidenecyclopropane?
but-1-ene;propylidenecyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;propylidenecyclopropane is sourced from PubChem (CID 23054525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).