1-prop-2-enylcyclobutene

C7H10 — CID 54148067

IUPAC1-prop-2-enylcyclobutene
SMILESC=CCC1=CCC1
InChIInChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2,5H,1,3-4,6H2
InChIKeyCCYJREWSADTAGC-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.28
Rot. Bonds2

About 1-prop-2-enylcyclobutene

1-prop-2-enylcyclobutene (PubChem CID 54148067) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-prop-2-enylcyclobutene.

Molecular Properties

Compound Name1-prop-2-enylcyclobutene
PubChem CID54148067
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-prop-2-enylcyclobutene
SMILESC=CCC1=CCC1
InChIInChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2,5H,1,3-4,6H2
InChIKeyCCYJREWSADTAGC-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-prop-2-enylcyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylcyclopentene
CID 12746
3-Methylenecyclohexene
CID 219357
2-Methyl-1,5-heptadiene
CID 291987
Cyclohexene, 4-methylene-
CID 139449
1-(2-Propenyl)cyclopentene
CID 142189
Cyclohexene, 4,5-bis(methylene)-
CID 143151
4-Methylenecyclopentene
CID 556370
1-Ethenylcyclopent-1-ene
CID 11228765
1,2-Divinylcyclobutene
CID 142586
(4E)-4-propylocta-1,4-diene
CID 5358330
4-Ethyl-1,4-hexadiene
CID 22806245
(6E)-6-methylocta-1,6-diene
CID 10909569

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylcyclobutene?
The IUPAC name of 1-prop-2-enylcyclobutene (CID 54148067) is 1-prop-2-enylcyclobutene.
What is the SMILES notation for 1-prop-2-enylcyclobutene?
The canonical SMILES for 1-prop-2-enylcyclobutene is C=CCC1=CCC1.
What is the InChIKey of 1-prop-2-enylcyclobutene?
The InChIKey is CCYJREWSADTAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2,5H,1,3-4,6H2.
What are the key properties of 1-prop-2-enylcyclobutene?
1-prop-2-enylcyclobutene has a molecular weight of 94.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclobutene is sourced from PubChem (CID 54148067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).