Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene

C9H10 — CID 22238656

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene
SMILESCC=C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C3H6/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1H2,2H3
InChIKeyGVWVOTPVAVBALR-UHFFFAOYSA-N
MW118.18 g/mol
LogP—
Rot. Bonds

About Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene

Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene (PubChem CID 22238656) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene
PubChem CID22238656
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene
SMILESCC=C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C3H6/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1H2,2H3
InChIKeyGVWVOTPVAVBALR-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity55

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
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

Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Butylbenzene
CID 7705
Propylbenzene
CID 7668
trans-beta-METHYLSTYRENE
CID 252325
beta-Methylstyrene
CID 12500
1-Phenyl-2-butene
CID 5356732
Isobutenylbenzene
CID 13030
Benzene, (2-methyl-2-propenyl)-
CID 18687
Benzene-1,2,3,4,5-d5, 6-(ethyl-1,1,2,2,2-d5)-
CID 117648
Benzene, (3-methyl-2-butenyl)-
CID 20572
beta-Methylstyrene, cis-
CID 252324

Frequently Asked Questions

What is the IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene (CID 22238656) is bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene is CC=C.C1=CC2=CC=C21.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene?
The InChIKey is GVWVOTPVAVBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C3H6/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H,1H2,2H3.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene?
Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene has a molecular weight of 118.18 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bicyclo[2.2.0]hexa-1,3,5-triene;prop-1-ene is sourced from PubChem (CID 22238656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).