ethyl 2-(hydroxymethyl)prop-2-enoate

C6H10O3 — CID 24827

IUPACethyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCC
InChIInChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3
InChIKeySYGAXBISYRORDR-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.10
Rot. Bonds3

About ethyl 2-(hydroxymethyl)prop-2-enoate

ethyl 2-(hydroxymethyl)prop-2-enoate (PubChem CID 24827) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)prop-2-enoate
PubChem CID24827
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=C(CO)C(=O)OCC
InChIInChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3
InChIKeySYGAXBISYRORDR-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-(hydroxymethyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(hydroxymethyl)prop-2-enoate (CID 24827) is ethyl 2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(hydroxymethyl)prop-2-enoate is C=C(CO)C(=O)OCC.
What is the InChIKey of ethyl 2-(hydroxymethyl)prop-2-enoate?
The InChIKey is SYGAXBISYRORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3.
What are the key properties of ethyl 2-(hydroxymethyl)prop-2-enoate?
ethyl 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 130.14 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 24827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).