prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate

C12H16O4 — CID 66692212

IUPACprop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
SMILESC=CC(=O)O.C=CCOC(=O)C1=CCCC1
InChIInChI=1S/C9H12O2.C3H4O2/c1-2-7-11-9(10)8-5-3-4-6-8;1-2-3(4)5/h2,5H,1,3-4,6-7H2;2H,1H2,(H,4,5)
InChIKeyALVRRTGWYWILAH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.08
Rot. Bonds4

About prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate

prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate (PubChem CID 66692212) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
PubChem CID66692212
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameprop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
SMILESC=CC(=O)O.C=CCOC(=O)C1=CCCC1
InChIInChI=1S/C9H12O2.C3H4O2/c1-2-7-11-9(10)8-5-3-4-6-8;1-2-3(4)5/h2,5H,1,3-4,6-7H2;2H,1H2,(H,4,5)
InChIKeyALVRRTGWYWILAH-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate?
The IUPAC name of prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate (CID 66692212) is prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate.
What is the SMILES notation for prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate?
The canonical SMILES for prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate is C=CC(=O)O.C=CCOC(=O)C1=CCCC1.
What is the InChIKey of prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate?
The InChIKey is ALVRRTGWYWILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C3H4O2/c1-2-7-11-9(10)8-5-3-4-6-8;1-2-3(4)5/h2,5H,1,3-4,6-7H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate?
prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate is sourced from PubChem (CID 66692212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).