5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate

C11H12O3 — CID 90261973

IUPAC5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCc2ccoc21
InChIInChI=1S/C11H12O3/c1-7(2)11(12)14-9-4-3-8-5-6-13-10(8)9/h5-6,9H,1,3-4H2,2H3
InChIKeyICKHANYPAMZJQK-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.39
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate

5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate (PubChem CID 90261973) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
PubChem CID90261973
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCc2ccoc21
InChIInChI=1S/C11H12O3/c1-7(2)11(12)14-9-4-3-8-5-6-13-10(8)9/h5-6,9H,1,3-4H2,2H3
InChIKeyICKHANYPAMZJQK-UHFFFAOYSA-N
XLogP2.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.39
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

Furfuryl octanoate
CID 61985
Phenethyl 2-furoate
CID 251531
Heptanoic acid, 2-furanylmethyl ester
CID 557223
5-Benzyl-furan-2-carboxylic acid methyl ester
CID 766979
Methyl 5-phenylfuran-2-carboxylate
CID 11275689
1-(3-Methyl-2-furyl)propan-1-one
CID 90245
Furfuryl decanoate
CID 71587144
4-(Methoxycarbonyl)phenyl furan-2-carboxylate
CID 654234
2-(4-Ethylphenyl)-2-oxoethyl 2-furoate
CID 7027628
(4-Propoxycarbonylphenyl) furan-2-carboxylate
CID 1721009
Furan-2-carboxylic acid 2-oxo-2-phenyl-ethyl ester
CID 765658
2-Methyl-3-oxo-2,3-dihydro-[2,2'']bifuranyl-5-carboxylic acid
CID 11367769

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate (CID 90261973) is 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCc2ccoc21.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate?
The InChIKey is ICKHANYPAMZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7(2)11(12)14-9-4-3-8-5-6-13-10(8)9/h5-6,9H,1,3-4H2,2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate?
5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate is sourced from PubChem (CID 90261973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).