methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate

C9H10O3 — CID 102400051

IUPACmethyl 2-[(E)-prop-1-enyl]furan-3-carboxylate
SMILESC/C=C/c1occc1C(=O)OC
InChIInChI=1S/C9H10O3/c1-3-4-8-7(5-6-12-8)9(10)11-2/h3-6H,1-2H3/b4-3+
InChIKeyHROOBGSJOATZJG-ONEGZZNKSA-N
MW166.18 g/mol
LogP2.10
Rot. Bonds2

About methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate

methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate (PubChem CID 102400051) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-prop-1-enyl]furan-3-carboxylate
PubChem CID102400051
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namemethyl 2-[(E)-prop-1-enyl]furan-3-carboxylate
SMILESC/C=C/c1occc1C(=O)OC
InChIInChI=1S/C9H10O3/c1-3-4-8-7(5-6-12-8)9(10)11-2/h3-6H,1-2H3/b4-3+
InChIKeyHROOBGSJOATZJG-ONEGZZNKSA-N
XLogP2.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate (CID 102400051) is methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate is C/C=C/c1occc1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate?
The InChIKey is HROOBGSJOATZJG-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H10O3/c1-3-4-8-7(5-6-12-8)9(10)11-2/h3-6H,1-2H3/b4-3+.
What are the key properties of methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate?
methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate is sourced from PubChem (CID 102400051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).