(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate

C11H8O4 — CID 147653737

IUPAC(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)OC(=O)C2
InChIInChI=1S/C11H8O4/c1-2-10(12)14-8-4-3-7-5-11(13)15-9(7)6-8/h2-4,6H,1,5H2
InChIKeyVZDUGULZZYDZOR-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.24
Rot. Bonds2

About (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate

(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate (PubChem CID 147653737) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate
PubChem CID147653737
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)OC(=O)C2
InChIInChI=1S/C11H8O4/c1-2-10(12)14-8-4-3-7-5-11(13)15-9(7)6-8/h2-4,6H,1,5H2
InChIKeyVZDUGULZZYDZOR-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3H-1-benzofuran-5-yl) prop-2-enoate
CID 59090463
(10-oxo-9H-thioxanthen-3-yl) prop-2-enoate
CID 68788509
(2-oxo-3H-1-benzofuran-6-yl) 4-(4-hexoxyphenyl)benzoate
CID 101384239
(2-oxo-3H-1-benzofuran-6-yl) 4-(4-heptoxyphenyl)benzoate
CID 101384238
(4-oxospiro[1,3-benzodioxine-2,4'-oxane]-7-yl) prop-2-enoate
CID 171601611
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
CID 66781745
6-hydroxy-3H-benzo[f][1]benzofuran-2-one
CID 67559155
[4-(1,3-dioxetan-2-yl)phenyl] prop-2-enoate
CID 122683290
(2-oxo-3H-1-benzofuran-5-yl) 3-chlorobenzoate
CID 46944674
[4-[[3,5-bis[bis(4-prop-2-enoyloxyphenoxy)stibanyl]phenyl]-(4-prop-2-enoyloxyphenoxy)stibanyl]oxyphenyl] prop-2-enoate
CID 172790099
[8-(2-methylprop-2-enoyloxy)-9H-xanthen-3-yl] 2-methylprop-2-enoate
CID 151190434

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate?
The IUPAC name of (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate (CID 147653737) is (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate.
What is the SMILES notation for (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate?
The canonical SMILES for (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate is C=CC(=O)Oc1ccc2c(c1)OC(=O)C2.
What is the InChIKey of (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate?
The InChIKey is VZDUGULZZYDZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-2-10(12)14-8-4-3-7-5-11(13)15-9(7)6-8/h2-4,6H,1,5H2.
What are the key properties of (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate?
(2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate has a molecular weight of 204.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3H-1-benzofuran-6-yl) prop-2-enoate is sourced from PubChem (CID 147653737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).