butyl (Z)-3-(furan-2-yl)prop-2-enoate

C11H14O3 — CID 102254544

IUPACbutyl (Z)-3-(furan-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C\c1ccco1
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(12)7-6-10-5-4-9-13-10/h4-7,9H,2-3,8H2,1H3/b7-6-
InChIKeyLKRMNIAHVIWPKN-SREVYHEPSA-N
MW194.23 g/mol
LogP2.64
Rot. Bonds5

About butyl (Z)-3-(furan-2-yl)prop-2-enoate

butyl (Z)-3-(furan-2-yl)prop-2-enoate (PubChem CID 102254544) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is butyl (Z)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namebutyl (Z)-3-(furan-2-yl)prop-2-enoate
PubChem CID102254544
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namebutyl (Z)-3-(furan-2-yl)prop-2-enoate
SMILESCCCCOC(=O)/C=C\c1ccco1
InChIInChI=1S/C11H14O3/c1-2-3-8-14-11(12)7-6-10-5-4-9-13-10/h4-7,9H,2-3,8H2,1H3/b7-6-
InChIKeyLKRMNIAHVIWPKN-SREVYHEPSA-N
XLogP2.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate;3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl (E)-3-(furan-2-yl)prop-2-enoate
CID 70001163
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
2-[2-(propylamino)ethoxy]ethyl (E)-3-(furan-2-yl)prop-2-enoate
CID 82532597
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5151438
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010200
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082

Frequently Asked Questions

What is the IUPAC name of butyl (Z)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of butyl (Z)-3-(furan-2-yl)prop-2-enoate (CID 102254544) is butyl (Z)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for butyl (Z)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for butyl (Z)-3-(furan-2-yl)prop-2-enoate is CCCCOC(=O)/C=C\c1ccco1.
What is the InChIKey of butyl (Z)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is LKRMNIAHVIWPKN-SREVYHEPSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-8-14-11(12)7-6-10-5-4-9-13-10/h4-7,9H,2-3,8H2,1H3/b7-6-.
What are the key properties of butyl (Z)-3-(furan-2-yl)prop-2-enoate?
butyl (Z)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (Z)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 102254544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).