but-1-ynylcyclopropane

C7H10 — CID 20764655

IUPACbut-1-ynylcyclopropane
SMILESCCC#CC1CC1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h7H,2,5-6H2,1H3
InChIKeyVIKQDCOIMZHWFA-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.81
Rot. Bonds

About but-1-ynylcyclopropane

but-1-ynylcyclopropane (PubChem CID 20764655) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is but-1-ynylcyclopropane.

Molecular Properties

Compound Namebut-1-ynylcyclopropane
PubChem CID20764655
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Namebut-1-ynylcyclopropane
SMILESCCC#CC1CC1
InChIInChI=1S/C7H10/c1-2-3-4-7-5-6-7/h7H,2,5-6H2,1H3
InChIKeyVIKQDCOIMZHWFA-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ynylcyclopropane?
The IUPAC name of but-1-ynylcyclopropane (CID 20764655) is but-1-ynylcyclopropane.
What is the SMILES notation for but-1-ynylcyclopropane?
The canonical SMILES for but-1-ynylcyclopropane is CCC#CC1CC1.
What is the InChIKey of but-1-ynylcyclopropane?
The InChIKey is VIKQDCOIMZHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h7H,2,5-6H2,1H3.
What are the key properties of but-1-ynylcyclopropane?
but-1-ynylcyclopropane has a molecular weight of 94.16 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ynylcyclopropane is sourced from PubChem (CID 20764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).