bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene

C10H12 — CID 23063595

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
SMILESC=CCC.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H8/c1-2-5-4-6(5)3-1;1-3-4-2/h1-4H;3H,1,4H2,2H3
InChIKeyGQWPTEUHGCNADP-UHFFFAOYSA-N
MW132.21 g/mol
LogP3.25
Rot. Bonds1

About bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene

bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene (PubChem CID 23063595) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
PubChem CID23063595
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
SMILESC=CCC.c1cc2cc-2c1
InChIInChI=1S/C6H4.C4H8/c1-2-5-4-6(5)3-1;1-3-4-2/h1-4H;3H,1,4H2,2H3
InChIKeyGQWPTEUHGCNADP-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 53.25
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

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Isobutylbenzene
CID 10870
1-Ethenyl-3-methylbenzene
CID 7529

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene (CID 23063595) is bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene is C=CCC.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene?
The InChIKey is GQWPTEUHGCNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H8/c1-2-5-4-6(5)3-1;1-3-4-2/h1-4H;3H,1,4H2,2H3.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene?
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene has a molecular weight of 132.21 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene is sourced from PubChem (CID 23063595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).