(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one

C8H10O3 — CID 122366712

IUPAC(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one
SMILESC=CC[C@@H]1OC(=O)C=C1CO
InChIInChI=1S/C8H10O3/c1-2-3-7-6(5-9)4-8(10)11-7/h2,4,7,9H,1,3,5H2/t7-/m0/s1
InChIKeyWFZJBRGMXFJLGW-ZETCQYMHSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds3

About (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one

(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one (PubChem CID 122366712) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one
PubChem CID122366712
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one
SMILESC=CC[C@@H]1OC(=O)C=C1CO
InChIInChI=1S/C8H10O3/c1-2-3-7-6(5-9)4-8(10)11-7/h2,4,7,9H,1,3,5H2/t7-/m0/s1
InChIKeyWFZJBRGMXFJLGW-ZETCQYMHSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one?
The IUPAC name of (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one (CID 122366712) is (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one is C=CC[C@@H]1OC(=O)C=C1CO.
What is the InChIKey of (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one?
The InChIKey is WFZJBRGMXFJLGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-6(5-9)4-8(10)11-7/h2,4,7,9H,1,3,5H2/t7-/m0/s1.
What are the key properties of (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one?
(2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(hydroxymethyl)-2-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 122366712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).