cycloheptene

C7H12 — CID 12363

IUPACcycloheptene
SMILESC1=CCCCCC1
InChIInChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
InChIKeyZXIJMRYMVAMXQP-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.51
Rot. Bonds

About cycloheptene

cycloheptene (PubChem CID 12363) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is cycloheptene.

Molecular Properties

Compound Namecycloheptene
PubChem CID12363
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Namecycloheptene
SMILESC1=CCCCCC1
InChIInChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2
InChIKeyZXIJMRYMVAMXQP-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
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

Cyclohexene
CID 8079
Cyclooctene
CID 638079
(E)-4-Undecene
CID 5358315
7-Tetradecene
CID 5364651
1,4-Undecadiene
CID 5358328
6-Tridecene, (6Z)-
CID 5356954
2-Nonene, (2Z)-
CID 5364455
2-Nonene, (2E)-
CID 5364590
(Z)-5-Dodecene
CID 5364658
Cyclododecene
CID 637538
cis-3-Decene
CID 5362723
Tetradec-7-ene
CID 25209

Frequently Asked Questions

What is the IUPAC name of cycloheptene?
The IUPAC name of cycloheptene (CID 12363) is cycloheptene.
What is the SMILES notation for cycloheptene?
The canonical SMILES for cycloheptene is C1=CCCCCC1.
What is the InChIKey of cycloheptene?
The InChIKey is ZXIJMRYMVAMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2.
What are the key properties of cycloheptene?
cycloheptene has a molecular weight of 96.17 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 cycloheptene is sourced from PubChem (CID 12363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).