5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene

C9H10 — CID 15471969

IUPAC5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1C=CC=C1
InChIInChI=1S/C9H10/c1-2-3-6-9-7-4-5-8-9/h2-9H,1H2/b6-3-
InChIKeyZPCVINYAFSETFH-UTCJRWHESA-N
MW118.18 g/mol
LogP2.47
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene

5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene (PubChem CID 15471969) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene
PubChem CID15471969
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C1C=CC=C1
InChIInChI=1S/C9H10/c1-2-3-6-9-7-4-5-8-9/h2-9H,1H2/b6-3-
InChIKeyZPCVINYAFSETFH-UTCJRWHESA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene (CID 15471969) is 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene is C=C/C=C\C1C=CC=C1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene?
The InChIKey is ZPCVINYAFSETFH-UTCJRWHESA-N. The full InChI is InChI=1S/C9H10/c1-2-3-6-9-7-4-5-8-9/h2-9H,1H2/b6-3-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene?
5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene has a molecular weight of 118.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]cyclopenta-1,3-diene is sourced from PubChem (CID 15471969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).