cyclohepta-1,3-diene

C7H10 — CID 19969

IUPACcyclohepta-1,3-diene
SMILESC1=CCCCC=C1
InChIInChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChIKeyGWYPDXLJACEENP-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.28
Rot. Bonds

About cyclohepta-1,3-diene

cyclohepta-1,3-diene (PubChem CID 19969) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is cyclohepta-1,3-diene.

Molecular Properties

Compound Namecyclohepta-1,3-diene
PubChem CID19969
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Namecyclohepta-1,3-diene
SMILESC1=CCCCC=C1
InChIInChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChIKeyGWYPDXLJACEENP-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3-diene?
The IUPAC name of cyclohepta-1,3-diene (CID 19969) is cyclohepta-1,3-diene.
What is the SMILES notation for cyclohepta-1,3-diene?
The canonical SMILES for cyclohepta-1,3-diene is C1=CCCCC=C1.
What is the InChIKey of cyclohepta-1,3-diene?
The InChIKey is GWYPDXLJACEENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2.
What are the key properties of cyclohepta-1,3-diene?
cyclohepta-1,3-diene has a molecular weight of 94.16 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3-diene is sourced from PubChem (CID 19969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).