5-butan-2-ylidenecyclopenta-1,3-diene

C9H11- — CID 162397478

IUPAC5-butan-2-ylidenecyclopenta-1,3-diene
SMILESC[CH-]C(C)=C1C=CC=C1
InChIInChI=1S/C9H11/c1-3-8(2)9-6-4-5-7-9/h3-7H,1-2H3/q-1
InChIKeyDBLCYQMFVUFQDP-UHFFFAOYSA-N
MW119.19 g/mol
LogP2.65
Rot. Bonds1

About 5-butan-2-ylidenecyclopenta-1,3-diene

5-butan-2-ylidenecyclopenta-1,3-diene (PubChem CID 162397478) has the molecular formula C9H11- and a molecular weight of 119.19 g/mol. Its IUPAC name is 5-butan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name5-butan-2-ylidenecyclopenta-1,3-diene
PubChem CID162397478
Molecular FormulaC9H11-
Molecular Weight119.19 g/mol
Exact Mass119.09
IUPAC Name5-butan-2-ylidenecyclopenta-1,3-diene
SMILESC[CH-]C(C)=C1C=CC=C1
InChIInChI=1S/C9H11/c1-3-8(2)9-6-4-5-7-9/h3-7H,1-2H3/q-1
InChIKeyDBLCYQMFVUFQDP-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
CID 12618807
2-cyclopenta-2,4-dien-1-ylidenepropan-1-ol
CID 12575364
5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
CID 174409389
3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol
CID 10351752
1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
CID 140977465
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
CID 159636847
1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
CID 12725581
1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
CID 172558213
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
CID 157122316
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 5-butan-2-ylidenecyclopenta-1,3-diene (CID 162397478) is 5-butan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 5-butan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 5-butan-2-ylidenecyclopenta-1,3-diene is C[CH-]C(C)=C1C=CC=C1.
What is the InChIKey of 5-butan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is DBLCYQMFVUFQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11/c1-3-8(2)9-6-4-5-7-9/h3-7H,1-2H3/q-1.
What are the key properties of 5-butan-2-ylidenecyclopenta-1,3-diene?
5-butan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 119.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 162397478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).