pent-3-enylidenecyclopropane

C8H12 — CID 54431064

IUPACpent-3-enylidenecyclopropane
SMILESCC=CCC=C1CC1
InChIInChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2-3,5H,4,6-7H2,1H3
InChIKeyWHNFWXYXLAIZHF-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds2

About pent-3-enylidenecyclopropane

pent-3-enylidenecyclopropane (PubChem CID 54431064) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is pent-3-enylidenecyclopropane.

Molecular Properties

Compound Namepent-3-enylidenecyclopropane
PubChem CID54431064
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Namepent-3-enylidenecyclopropane
SMILESCC=CCC=C1CC1
InChIInChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2-3,5H,4,6-7H2,1H3
InChIKeyWHNFWXYXLAIZHF-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.67
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 pent-3-enylidenecyclopropane?
The IUPAC name of pent-3-enylidenecyclopropane (CID 54431064) is pent-3-enylidenecyclopropane.
What is the SMILES notation for pent-3-enylidenecyclopropane?
The canonical SMILES for pent-3-enylidenecyclopropane is CC=CCC=C1CC1.
What is the InChIKey of pent-3-enylidenecyclopropane?
The InChIKey is WHNFWXYXLAIZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-3-4-5-8-6-7-8/h2-3,5H,4,6-7H2,1H3.
What are the key properties of pent-3-enylidenecyclopropane?
pent-3-enylidenecyclopropane has a molecular weight of 108.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enylidenecyclopropane is sourced from PubChem (CID 54431064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).