5-Methylene-1,3-cyclohexadiene

C7H8 — CID 140740

IUPAC5-methylidenecyclohexa-1,3-diene
SMILESC=C1CC=CC=C1
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-5H,1,6H2
InChIKeyOSBSXTGABLIDRX-UHFFFAOYSA-N
MW92.14 g/mol
LogP2.30
Rot. Bonds

About 5-Methylene-1,3-cyclohexadiene

5-Methylene-1,3-cyclohexadiene (PubChem CID 140740) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is 5-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-Methylene-1,3-cyclohexadiene
PubChem CID140740
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Name5-methylidenecyclohexa-1,3-diene
SMILESC=C1CC=CC=C1
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-5H,1,6H2
InChIKeyOSBSXTGABLIDRX-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-Methylene-1,3-cyclohexadiene?
The IUPAC name of 5-Methylene-1,3-cyclohexadiene (CID 140740) is 5-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-Methylene-1,3-cyclohexadiene?
The canonical SMILES for 5-Methylene-1,3-cyclohexadiene is C=C1CC=CC=C1.
What is the InChIKey of 5-Methylene-1,3-cyclohexadiene?
The InChIKey is OSBSXTGABLIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-5H,1,6H2.
What are the key properties of 5-Methylene-1,3-cyclohexadiene?
5-Methylene-1,3-cyclohexadiene has a molecular weight of 92.14 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methylene-1,3-cyclohexadiene is sourced from PubChem (CID 140740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).