4-methylidenecycloheptene

C8H12 — CID 57195729

IUPAC4-methylidenecycloheptene
SMILESC=C1CC=CCCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,4H,1,3,5-7H2
InChIKeySJONMUNPORNEEB-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.67
Rot. Bonds

About 4-methylidenecycloheptene

4-methylidenecycloheptene (PubChem CID 57195729) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 4-methylidenecycloheptene.

Molecular Properties

Compound Name4-methylidenecycloheptene
PubChem CID57195729
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name4-methylidenecycloheptene
SMILESC=C1CC=CCCC1
InChIInChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,4H,1,3,5-7H2
InChIKeySJONMUNPORNEEB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenecycloheptene?
The IUPAC name of 4-methylidenecycloheptene (CID 57195729) is 4-methylidenecycloheptene.
What is the SMILES notation for 4-methylidenecycloheptene?
The canonical SMILES for 4-methylidenecycloheptene is C=C1CC=CCCC1.
What is the InChIKey of 4-methylidenecycloheptene?
The InChIKey is SJONMUNPORNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-8-6-4-2-3-5-7-8/h2,4H,1,3,5-7H2.
What are the key properties of 4-methylidenecycloheptene?
4-methylidenecycloheptene has a molecular weight of 108.18 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecycloheptene is sourced from PubChem (CID 57195729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).