prop-1-en-2-yl cyclopentanecarboxylate

C9H14O2 — CID 53431180

IUPACprop-1-en-2-yl cyclopentanecarboxylate
SMILESC=C(C)OC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-7(2)11-9(10)8-5-3-4-6-8/h8H,1,3-6H2,2H3
InChIKeyYVWMLDUGBYUXLK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds2

About prop-1-en-2-yl cyclopentanecarboxylate

prop-1-en-2-yl cyclopentanecarboxylate (PubChem CID 53431180) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is prop-1-en-2-yl cyclopentanecarboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl cyclopentanecarboxylate
PubChem CID53431180
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameprop-1-en-2-yl cyclopentanecarboxylate
SMILESC=C(C)OC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-7(2)11-9(10)8-5-3-4-6-8/h8H,1,3-6H2,2H3
InChIKeyYVWMLDUGBYUXLK-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl cyclopentanecarboxylate?
The IUPAC name of prop-1-en-2-yl cyclopentanecarboxylate (CID 53431180) is prop-1-en-2-yl cyclopentanecarboxylate.
What is the SMILES notation for prop-1-en-2-yl cyclopentanecarboxylate?
The canonical SMILES for prop-1-en-2-yl cyclopentanecarboxylate is C=C(C)OC(=O)C1CCCC1.
What is the InChIKey of prop-1-en-2-yl cyclopentanecarboxylate?
The InChIKey is YVWMLDUGBYUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)11-9(10)8-5-3-4-6-8/h8H,1,3-6H2,2H3.
What are the key properties of prop-1-en-2-yl cyclopentanecarboxylate?
prop-1-en-2-yl cyclopentanecarboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl cyclopentanecarboxylate is sourced from PubChem (CID 53431180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).