methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate

C11H12O3 — CID 115466743

IUPACmethyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCc2occc21
InChIInChI=1S/C11H12O3/c1-13-11(12)7-8-3-2-4-10-9(8)5-6-14-10/h5-7H,2-4H2,1H3/b8-7-
InChIKeyFOTWKAGAEJSJLN-FPLPWBNLSA-N
MW192.21 g/mol
LogP2.17
Rot. Bonds1

About methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate

methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate (PubChem CID 115466743) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
PubChem CID115466743
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
SMILESCOC(=O)/C=C1/CCCc2occc21
InChIInChI=1S/C11H12O3/c1-13-11(12)7-8-3-2-4-10-9(8)5-6-14-10/h5-7H,2-4H2,1H3/b8-7-
InChIKeyFOTWKAGAEJSJLN-FPLPWBNLSA-N
XLogP2.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.17
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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Related Compounds

methyl (2E)-2-[(2Z)-2-(2-methoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10466192
4-butylidene-6,7-dihydro-5H-1-benzofuran
CID 54518756
methyl (2E)-2-(7-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetate
CID 82543772
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
CID 115467399
methyl (2E)-2-[7-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetate
CID 110447239
(Z)-N-methoxy-6,7-dihydro-5H-1-benzofuran-4-imine
CID 126997465
methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-5-carboxylate
CID 11310068
(6,7-dihydro-5H-1-benzofuran-4-ylideneamino) cyclopropanecarboxylate
CID 1477741
methyl (2Z)-2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-ylidene]acetate
CID 11470179
methyl (2E)-2-(oxolan-2-ylidene)acetate
CID 12999931
methyl (2E)-2-[3-(4-methylphenyl)sulfonyl-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ylidene]acetate
CID 11047528

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate (CID 115466743) is methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate is COC(=O)/C=C1/CCCc2occc21.
What is the InChIKey of methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate?
The InChIKey is FOTWKAGAEJSJLN-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11(12)7-8-3-2-4-10-9(8)5-6-14-10/h5-7H,2-4H2,1H3/b8-7-.
What are the key properties of methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate?
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate has a molecular weight of 192.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate is sourced from PubChem (CID 115466743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).