5-(methoxymethylidene)cyclopenta-1,3-diene

C7H8O — CID 13428392

IUPAC5-(methoxymethylidene)cyclopenta-1,3-diene
SMILESCOC=C1C=CC=C1
InChIInChI=1S/C7H8O/c1-8-6-7-4-2-3-5-7/h2-6H,1H3
InChIKeyAMTSIXXCKDMDRE-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.64
Rot. Bonds1

About 5-(methoxymethylidene)cyclopenta-1,3-diene

5-(methoxymethylidene)cyclopenta-1,3-diene (PubChem CID 13428392) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-(methoxymethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(methoxymethylidene)cyclopenta-1,3-diene
PubChem CID13428392
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name5-(methoxymethylidene)cyclopenta-1,3-diene
SMILESCOC=C1C=CC=C1
InChIInChI=1S/C7H8O/c1-8-6-7-4-2-3-5-7/h2-6H,1H3
InChIKeyAMTSIXXCKDMDRE-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(methoxymethylidene)cyclopenta-1,3-diene (CID 13428392) is 5-(methoxymethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(methoxymethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(methoxymethylidene)cyclopenta-1,3-diene is COC=C1C=CC=C1.
What is the InChIKey of 5-(methoxymethylidene)cyclopenta-1,3-diene?
The InChIKey is AMTSIXXCKDMDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-8-6-7-4-2-3-5-7/h2-6H,1H3.
What are the key properties of 5-(methoxymethylidene)cyclopenta-1,3-diene?
5-(methoxymethylidene)cyclopenta-1,3-diene has a molecular weight of 108.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 13428392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).