[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate

C10H14O3 — CID 58734457

IUPAC[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2CCCO2)CC1
InChIInChI=1S/C10H14O3/c1-2-9(11)13-10(5-6-10)8-4-3-7-12-8/h2,8H,1,3-7H2
InChIKeyPJYBSCNVRKFLQJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds3

About [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate

[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate (PubChem CID 58734457) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
PubChem CID58734457
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2CCCO2)CC1
InChIInChI=1S/C10H14O3/c1-2-9(11)13-10(5-6-10)8-4-3-7-12-8/h2,8H,1,3-7H2
InChIKeyPJYBSCNVRKFLQJ-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate?
The IUPAC name of [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate (CID 58734457) is [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate.
What is the SMILES notation for [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate?
The canonical SMILES for [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate is C=CC(=O)OC1(C2CCCO2)CC1.
What is the InChIKey of [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate?
The InChIKey is PJYBSCNVRKFLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-9(11)13-10(5-6-10)8-4-3-7-12-8/h2,8H,1,3-7H2.
What are the key properties of [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate?
[1-(oxolan-2-yl)cyclopropyl] prop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-yl)cyclopropyl] prop-2-enoate is sourced from PubChem (CID 58734457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).