(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid

C16H16O3 — CID 82275123

IUPAC(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
SMILESO=C(O)/C=C(/c1cc2ccccc2o1)C1CCCC1
InChIInChI=1S/C16H16O3/c17-16(18)10-13(11-5-1-2-6-11)15-9-12-7-3-4-8-14(12)19-15/h3-4,7-11H,1-2,5-6H2,(H,17,18)/b13-10+
InChIKeyQKPMKPYHVDCXIE-JLHYYAGUSA-N
MW256.30 g/mol
LogP4.09
Rot. Bonds3

About (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid

(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid (PubChem CID 82275123) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
PubChem CID82275123
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
SMILESO=C(O)/C=C(/c1cc2ccccc2o1)C1CCCC1
InChIInChI=1S/C16H16O3/c17-16(18)10-13(11-5-1-2-6-11)15-9-12-7-3-4-8-14(12)19-15/h3-4,7-11H,1-2,5-6H2,(H,17,18)/b13-10+
InChIKeyQKPMKPYHVDCXIE-JLHYYAGUSA-N
XLogP4.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid (CID 82275123) is (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid is O=C(O)/C=C(/c1cc2ccccc2o1)C1CCCC1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid?
The InChIKey is QKPMKPYHVDCXIE-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(18)10-13(11-5-1-2-6-11)15-9-12-7-3-4-8-14(12)19-15/h3-4,7-11H,1-2,5-6H2,(H,17,18)/b13-10+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid?
(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid has a molecular weight of 256.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid is sourced from PubChem (CID 82275123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).