4-methylidenecyclopentene

C6H8 — CID 556370

IUPAC4-methylidenecyclopentene
SMILESC=C1CC=CC1
InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3H,1,4-5H2
InChIKeyLWDUGATUDNIVEU-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.89
Rot. Bonds

About 4-methylidenecyclopentene

4-methylidenecyclopentene (PubChem CID 556370) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 4-methylidenecyclopentene.

Molecular Properties

Compound Name4-methylidenecyclopentene
PubChem CID556370
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name4-methylidenecyclopentene
SMILESC=C1CC=CC1
InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3H,1,4-5H2
InChIKeyLWDUGATUDNIVEU-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.89
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-methylidenecyclopentene?
The IUPAC name of 4-methylidenecyclopentene (CID 556370) is 4-methylidenecyclopentene.
What is the SMILES notation for 4-methylidenecyclopentene?
The canonical SMILES for 4-methylidenecyclopentene is C=C1CC=CC1.
What is the InChIKey of 4-methylidenecyclopentene?
The InChIKey is LWDUGATUDNIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3H,1,4-5H2.
What are the key properties of 4-methylidenecyclopentene?
4-methylidenecyclopentene has a molecular weight of 80.13 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclopentene is sourced from PubChem (CID 556370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).