buta-1,3-dienylcyclopropane

C7H10 — CID 54480591

IUPACbuta-1,3-dienylcyclopropane
SMILESC=CC=CC1CC1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2-4,7H,1,5-6H2
InChIKeyXOSQFCUFISUYLS-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.14
Rot. Bonds2

About buta-1,3-dienylcyclopropane

buta-1,3-dienylcyclopropane (PubChem CID 54480591) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is buta-1,3-dienylcyclopropane.

Molecular Properties

Compound Namebuta-1,3-dienylcyclopropane
PubChem CID54480591
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Namebuta-1,3-dienylcyclopropane
SMILESC=CC=CC1CC1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2-4,7H,1,5-6H2
InChIKeyXOSQFCUFISUYLS-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.14
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 buta-1,3-dienylcyclopropane?
The IUPAC name of buta-1,3-dienylcyclopropane (CID 54480591) is buta-1,3-dienylcyclopropane.
What is the SMILES notation for buta-1,3-dienylcyclopropane?
The canonical SMILES for buta-1,3-dienylcyclopropane is C=CC=CC1CC1.
What is the InChIKey of buta-1,3-dienylcyclopropane?
The InChIKey is XOSQFCUFISUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2-4,7H,1,5-6H2.
What are the key properties of buta-1,3-dienylcyclopropane?
buta-1,3-dienylcyclopropane has a molecular weight of 94.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienylcyclopropane is sourced from PubChem (CID 54480591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).