propan-2-ylidenecyclobutane

C7H12 — CID 519100

IUPACpropan-2-ylidenecyclobutane
SMILESCC(C)=C1CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h3-5H2,1-2H3
InChIKeyUEVOQCSGNIHNLH-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.51
Rot. Bonds

About propan-2-ylidenecyclobutane

propan-2-ylidenecyclobutane (PubChem CID 519100) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is propan-2-ylidenecyclobutane.

Molecular Properties

Compound Namepropan-2-ylidenecyclobutane
PubChem CID519100
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namepropan-2-ylidenecyclobutane
SMILESCC(C)=C1CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h3-5H2,1-2H3
InChIKeyUEVOQCSGNIHNLH-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethyl-2-pentene
CID 25403
Ethylidenecyclobutane
CID 137060
Cyclopropylidenecyclobutane
CID 11366953
Pentan-3-ylidenecyclobutane
CID 14742286
1-Fluoro-3-propan-2-ylidenecyclobutane
CID 174328004
Pentan-2-ylidenecyclobutane
CID 123226860
CID 162402978
CID 162402978
Propylidenecyclobutane
CID 13593930
CID 90704482
CID 90704482
CID 90984037
CID 90984037
CID 91217861
CID 91217861
Butan-2-ylidenecyclobutane
CID 91584924

Frequently Asked Questions

What is the IUPAC name of propan-2-ylidenecyclobutane?
The IUPAC name of propan-2-ylidenecyclobutane (CID 519100) is propan-2-ylidenecyclobutane.
What is the SMILES notation for propan-2-ylidenecyclobutane?
The canonical SMILES for propan-2-ylidenecyclobutane is CC(C)=C1CCC1.
What is the InChIKey of propan-2-ylidenecyclobutane?
The InChIKey is UEVOQCSGNIHNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)7-4-3-5-7/h3-5H2,1-2H3.
What are the key properties of propan-2-ylidenecyclobutane?
propan-2-ylidenecyclobutane has a molecular weight of 96.17 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylidenecyclobutane is sourced from PubChem (CID 519100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).