3-methylbicyclo[3.2.0]hept-1(5)-ene

C8H12 — CID 123354249

IUPAC3-methylbicyclo[3.2.0]hept-1(5)-ene
SMILESCC1CC2=C(CC2)C1
InChIInChI=1S/C8H12/c1-6-4-7-2-3-8(7)5-6/h6H,2-5H2,1H3
InChIKeyUKCAQUQDAABMJQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds

About 3-methylbicyclo[3.2.0]hept-1(5)-ene

3-methylbicyclo[3.2.0]hept-1(5)-ene (PubChem CID 123354249) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3-methylbicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name3-methylbicyclo[3.2.0]hept-1(5)-ene
PubChem CID123354249
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3-methylbicyclo[3.2.0]hept-1(5)-ene
SMILESCC1CC2=C(CC2)C1
InChIInChI=1S/C8H12/c1-6-4-7-2-3-8(7)5-6/h6H,2-5H2,1H3
InChIKeyUKCAQUQDAABMJQ-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.51
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

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CID 103394006
(14S)-14-methylbicyclo[9.4.0]pentadec-1(11)-en-12-one
CID 11160668
2-methyl-2,3,5,6,7,8,9,10,11,12-decahydro-1H-benzo[10]annulen-4-one
CID 59550294
3-methylcyclopentadecane-1,5-dione
CID 11184330
5-methyl-2,3,4,5,6,7-hexahydro-1-benzofuran
CID 12611647
4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778
14-methylbicyclo[9.4.0]pentadeca-1(11),6-dien-12-one
CID 67259243
formonitrile;1-methyl-3-methylidenecyclobutane
CID 160812987
2,3-dihydro-1H-indene;2-methyl-2,3-dihydro-1H-indene
CID 159163740
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
(2R)-2-methylbicyclo[3.2.0]hept-1(5)-ene
CID 149263121

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 3-methylbicyclo[3.2.0]hept-1(5)-ene (CID 123354249) is 3-methylbicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 3-methylbicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 3-methylbicyclo[3.2.0]hept-1(5)-ene is CC1CC2=C(CC2)C1.
What is the InChIKey of 3-methylbicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is UKCAQUQDAABMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-4-7-2-3-8(7)5-6/h6H,2-5H2,1H3.
What are the key properties of 3-methylbicyclo[3.2.0]hept-1(5)-ene?
3-methylbicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 123354249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).