2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate

C11H14O3 — CID 58734392

IUPAC2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccco1
InChIInChI=1S/C11H14O3/c1-8(2)10(12)14-11(3,4)9-6-5-7-13-9/h5-7H,1H2,2-4H3
InChIKeyRGNVPADISVEHCN-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.63
Rot. Bonds3

About 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate

2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 58734392) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID58734392
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccco1
InChIInChI=1S/C11H14O3/c1-8(2)10(12)14-11(3,4)9-6-5-7-13-9/h5-7H,1H2,2-4H3
InChIKeyRGNVPADISVEHCN-UHFFFAOYSA-N
XLogP2.63
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.63
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

[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate
CID 89476128
2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
2-(furan-2-yl)propan-2-yl 4-dibenzothiophen-5-ium-5-ylbenzoate
CID 169017852
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 126760815
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-(furan-2-yl)-2-(methoxyamino)propanamide
CID 142650613
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate (CID 58734392) is 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is RGNVPADISVEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)10(12)14-11(3,4)9-6-5-7-13-9/h5-7H,1H2,2-4H3.
What are the key properties of 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate?
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 58734392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).