furan-2-ylmethyl prop-2-enoate;hydron

C8H9O3+ — CID 174819627

IUPACfuran-2-ylmethyl prop-2-enoate;hydron
SMILESC=CC(=O)OCc1ccco1.[H+]
InChIInChI=1S/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2/p+1
InChIKeyBHPLCUDMENJIRS-UHFFFAOYSA-O
MW153.16 g/mol
LogP1.62
Rot. Bonds3

About furan-2-ylmethyl prop-2-enoate;hydron

furan-2-ylmethyl prop-2-enoate;hydron (PubChem CID 174819627) has the molecular formula C8H9O3+ and a molecular weight of 153.16 g/mol. Its IUPAC name is furan-2-ylmethyl prop-2-enoate;hydron.

Molecular Properties

Compound Namefuran-2-ylmethyl prop-2-enoate;hydron
PubChem CID174819627
Molecular FormulaC8H9O3+
Molecular Weight153.16 g/mol
Exact Mass153.05
IUPAC Namefuran-2-ylmethyl prop-2-enoate;hydron
SMILESC=CC(=O)OCc1ccco1.[H+]
InChIInChI=1S/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2/p+1
InChIKeyBHPLCUDMENJIRS-UHFFFAOYSA-O
XLogP1.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.62
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

(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 13045444
furan-2-ylmethyl pent-2-enoate
CID 140682231
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 67127109
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
[(E)-3-(furan-2-yl)prop-2-enyl] prop-2-enoate
CID 164665963
furan-2-ylmethyl 3-naphthalen-2-ylprop-2-enoate
CID 801603
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
furan-2-ylmethyl N,N-diphenylcarbamate
CID 4257643
furan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653423
4-O-[3-[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxy-2,2-bis[[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxymethyl]propyl] 1-O-(furan-2-ylmethyl) butanedioate
CID 101447383
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
N-(furan-2-ylmethoxy)-2-methylprop-2-enamide
CID 134839007

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl prop-2-enoate;hydron?
The IUPAC name of furan-2-ylmethyl prop-2-enoate;hydron (CID 174819627) is furan-2-ylmethyl prop-2-enoate;hydron.
What is the SMILES notation for furan-2-ylmethyl prop-2-enoate;hydron?
The canonical SMILES for furan-2-ylmethyl prop-2-enoate;hydron is C=CC(=O)OCc1ccco1.[H+].
What is the InChIKey of furan-2-ylmethyl prop-2-enoate;hydron?
The InChIKey is BHPLCUDMENJIRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2-5H,1,6H2/p+1.
What are the key properties of furan-2-ylmethyl prop-2-enoate;hydron?
furan-2-ylmethyl prop-2-enoate;hydron has a molecular weight of 153.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl prop-2-enoate;hydron is sourced from PubChem (CID 174819627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).