4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid

C9H10O4 — CID 66787576

IUPAC4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid
SMILESCO/C(C)=C/c1coc(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-6(12-2)3-7-4-8(9(10)11)13-5-7/h3-5H,1-2H3,(H,10,11)/b6-3+
InChIKeyYUSZNJDVCBIGAT-ZZXKWVIFSA-N
MW182.17 g/mol
LogP1.99
Rot. Bonds3

About 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid

4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid (PubChem CID 66787576) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid
PubChem CID66787576
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid
SMILESCO/C(C)=C/c1coc(C(=O)O)c1
InChIInChI=1S/C9H10O4/c1-6(12-2)3-7-4-8(9(10)11)13-5-7/h3-5H,1-2H3,(H,10,11)/b6-3+
InChIKeyYUSZNJDVCBIGAT-ZZXKWVIFSA-N
XLogP1.99
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-formyl-N-methylfuran-2-carboxamide
CID 57114481
4-(2-hydroxyphenyl)furan-2-carboxylic acid
CID 117222402
4-(2-tert-butylsilyloxypropan-2-yl)furan-2-carboxylic acid
CID 154430012
methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate
CID 142617174
5-acetylfuran-3-carboxylic acid
CID 10654434
4-(4-aminophenyl)furan-2-carboxylic acid
CID 117223140
4-[(2-methylphenyl)methyl]furan-2-carboxylic acid
CID 84723847
4-[(carbamoylamino)methyl]furan-2-carboxylic acid
CID 84659397
4-(2-methylbenzoyl)furan-2-carboxylic acid
CID 84726249
5-(4-methoxybenzoyl)-4-oxopyran-2-carboxylic acid
CID 13091184
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid?
The IUPAC name of 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid (CID 66787576) is 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid?
The canonical SMILES for 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid is CO/C(C)=C/c1coc(C(=O)O)c1.
What is the InChIKey of 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid?
The InChIKey is YUSZNJDVCBIGAT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H10O4/c1-6(12-2)3-7-4-8(9(10)11)13-5-7/h3-5H,1-2H3,(H,10,11)/b6-3+.
What are the key properties of 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid?
4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid has a molecular weight of 182.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methoxyprop-1-enyl]furan-2-carboxylic acid is sourced from PubChem (CID 66787576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).