(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid

C8H10O3 — CID 93493214

IUPAC(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
SMILESC=C(C)[C@@H]1CC(C(=O)O)=CO1
InChIInChI=1S/C8H10O3/c1-5(2)7-3-6(4-11-7)8(9)10/h4,7H,1,3H2,2H3,(H,9,10)/t7-/m0/s1
InChIKeyVGSBCUNTFPWCCG-ZETCQYMHSA-N
MW154.16 g/mol
LogP1.32
Rot. Bonds2

About (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid

(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid (PubChem CID 93493214) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
PubChem CID93493214
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
SMILESC=C(C)[C@@H]1CC(C(=O)O)=CO1
InChIInChI=1S/C8H10O3/c1-5(2)7-3-6(4-11-7)8(9)10/h4,7H,1,3H2,2H3,(H,9,10)/t7-/m0/s1
InChIKeyVGSBCUNTFPWCCG-ZETCQYMHSA-N
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The IUPAC name of (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid (CID 93493214) is (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid.
What is the SMILES notation for (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The canonical SMILES for (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid is C=C(C)[C@@H]1CC(C(=O)O)=CO1.
What is the InChIKey of (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
The InChIKey is VGSBCUNTFPWCCG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(2)7-3-6(4-11-7)8(9)10/h4,7H,1,3H2,2H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid?
(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid is sourced from PubChem (CID 93493214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).