3-but-2-enylbicyclo[2.2.0]hex-1-ene

C10H14 — CID 123142827

IUPAC3-but-2-enylbicyclo[2.2.0]hex-1-ene
SMILESCC=CCC1C=C2CCC21
InChIInChI=1S/C10H14/c1-2-3-4-8-7-9-5-6-10(8)9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyLHAKVTQRHXSKFZ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds2

About 3-but-2-enylbicyclo[2.2.0]hex-1-ene

3-but-2-enylbicyclo[2.2.0]hex-1-ene (PubChem CID 123142827) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-but-2-enylbicyclo[2.2.0]hex-1-ene.

Molecular Properties

Compound Name3-but-2-enylbicyclo[2.2.0]hex-1-ene
PubChem CID123142827
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-but-2-enylbicyclo[2.2.0]hex-1-ene
SMILESCC=CCC1C=C2CCC21
InChIInChI=1S/C10H14/c1-2-3-4-8-7-9-5-6-10(8)9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyLHAKVTQRHXSKFZ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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 3-but-2-enylbicyclo[2.2.0]hex-1-ene?
The IUPAC name of 3-but-2-enylbicyclo[2.2.0]hex-1-ene (CID 123142827) is 3-but-2-enylbicyclo[2.2.0]hex-1-ene.
What is the SMILES notation for 3-but-2-enylbicyclo[2.2.0]hex-1-ene?
The canonical SMILES for 3-but-2-enylbicyclo[2.2.0]hex-1-ene is CC=CCC1C=C2CCC21.
What is the InChIKey of 3-but-2-enylbicyclo[2.2.0]hex-1-ene?
The InChIKey is LHAKVTQRHXSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-4-8-7-9-5-6-10(8)9/h2-3,7-8,10H,4-6H2,1H3.
What are the key properties of 3-but-2-enylbicyclo[2.2.0]hex-1-ene?
3-but-2-enylbicyclo[2.2.0]hex-1-ene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enylbicyclo[2.2.0]hex-1-ene is sourced from PubChem (CID 123142827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).