bicyclo[4.1.0]hepta-1,3,5-triene;methane

C8H10 — CID 157397080

IUPACbicyclo[4.1.0]hepta-1,3,5-triene;methane
SMILESC.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH4/c1-2-4-7-5-6(7)3-1;/h1-4H,5H2;1H4
InChIKeyBMRSDFIAJWTGEN-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.23
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-triene;methane

bicyclo[4.1.0]hepta-1,3,5-triene;methane (PubChem CID 157397080) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-triene;methane.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-triene;methane
PubChem CID157397080
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-triene;methane
SMILESC.c1ccc2c(c1)C2
InChIInChI=1S/C7H6.CH4/c1-2-4-7-5-6(7)3-1;/h1-4H,5H2;1H4
InChIKeyBMRSDFIAJWTGEN-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5,8,13,14-tetrahydropentaphene
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bicyclo[4.1.0]hepta-1,3,5-triene;furan
CID 174888832
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
5,7,14,16-tetrahydrohexacene
CID 139940246
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
CID 175337736
9,10-dihydroanthracen-10-ide
CID 15258421
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;methane?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-triene;methane (CID 157397080) is bicyclo[4.1.0]hepta-1,3,5-triene;methane.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-triene;methane?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-triene;methane is C.c1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-triene;methane?
The InChIKey is BMRSDFIAJWTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.CH4/c1-2-4-7-5-6(7)3-1;/h1-4H,5H2;1H4.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-triene;methane?
bicyclo[4.1.0]hepta-1,3,5-triene;methane has a molecular weight of 106.17 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-triene;methane is sourced from PubChem (CID 157397080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).