2-prop-1-en-2-ylbicyclo[1.1.0]butane

C7H10 — CID 91290085

IUPAC2-prop-1-en-2-ylbicyclo[1.1.0]butane
SMILESC=C(C)C1C2CC21
InChIInChI=1S/C7H10/c1-4(2)7-5-3-6(5)7/h5-7H,1,3H2,2H3
InChIKeySQYDRUXEABRSBJ-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.83
Rot. Bonds1

About 2-prop-1-en-2-ylbicyclo[1.1.0]butane

2-prop-1-en-2-ylbicyclo[1.1.0]butane (PubChem CID 91290085) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2-prop-1-en-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-prop-1-en-2-ylbicyclo[1.1.0]butane
PubChem CID91290085
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2-prop-1-en-2-ylbicyclo[1.1.0]butane
SMILESC=C(C)C1C2CC21
InChIInChI=1S/C7H10/c1-4(2)7-5-3-6(5)7/h5-7H,1,3H2,2H3
InChIKeySQYDRUXEABRSBJ-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-prop-1-en-2-ylbicyclo[1.1.0]butane 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

2-methyl-5-prop-1-en-2-ylbicyclo[2.1.0]pentane
CID 123505655
CID 162266797
CID 162266797
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
1-(3-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 147588921
2-(chloromethyl)-3-prop-1-en-2-ylbicyclo[2.2.1]heptane
CID 67459259
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
3,5-diethyl-8,9-bis(prop-1-en-2-yl)tricyclo[5.2.1.02,6]decane;ethane;bis(1-ethyl-1-methylcyclopentane)
CID 142091883
1,3-dimethyl-5-prop-1-en-2-ylcyclohexane
CID 90969258
3-prop-1-en-2-yl-6-azabicyclo[3.1.1]heptane
CID 138718018
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
CID 130741612
(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol
CID 10999003

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2-prop-1-en-2-ylbicyclo[1.1.0]butane (CID 91290085) is 2-prop-1-en-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-prop-1-en-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2-prop-1-en-2-ylbicyclo[1.1.0]butane is C=C(C)C1C2CC21.
What is the InChIKey of 2-prop-1-en-2-ylbicyclo[1.1.0]butane?
The InChIKey is SQYDRUXEABRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-4(2)7-5-3-6(5)7/h5-7H,1,3H2,2H3.
What are the key properties of 2-prop-1-en-2-ylbicyclo[1.1.0]butane?
2-prop-1-en-2-ylbicyclo[1.1.0]butane has a molecular weight of 94.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 91290085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).