[(2R)-but-3-en-2-yl]cyclopropane

C7H12 — CID 640657

IUPAC[(2R)-but-3-en-2-yl]cyclopropane
SMILESC=C[C@@H](C)C1CC1
InChIInChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyXZLWQFYUCAOCMM-ZCFIWIBFSA-N
MW96.17 g/mol
LogP2.22
Rot. Bonds2

About [(2R)-but-3-en-2-yl]cyclopropane

[(2R)-but-3-en-2-yl]cyclopropane (PubChem CID 640657) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is [(2R)-but-3-en-2-yl]cyclopropane.

Molecular Properties

Compound Name[(2R)-but-3-en-2-yl]cyclopropane
PubChem CID640657
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name[(2R)-but-3-en-2-yl]cyclopropane
SMILESC=C[C@@H](C)C1CC1
InChIInChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyXZLWQFYUCAOCMM-ZCFIWIBFSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2R)-but-3-en-2-yl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-but-3-en-2-yl]cyclopropane?
The IUPAC name of [(2R)-but-3-en-2-yl]cyclopropane (CID 640657) is [(2R)-but-3-en-2-yl]cyclopropane.
What is the SMILES notation for [(2R)-but-3-en-2-yl]cyclopropane?
The canonical SMILES for [(2R)-but-3-en-2-yl]cyclopropane is C=C[C@@H](C)C1CC1.
What is the InChIKey of [(2R)-but-3-en-2-yl]cyclopropane?
The InChIKey is XZLWQFYUCAOCMM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1.
What are the key properties of [(2R)-but-3-en-2-yl]cyclopropane?
[(2R)-but-3-en-2-yl]cyclopropane has a molecular weight of 96.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-but-3-en-2-yl]cyclopropane is sourced from PubChem (CID 640657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).