methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate

C9H8Cl2O4 — CID 10060690

IUPACmethyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1Cl)C(=O)OC
InChIInChI=1S/C9H8Cl2O4/c1-4(8(12)14-2)3-5-6(10)7(11)9(13)15-5/h5H,1,3H2,2H3
InChIKeyMGLAOKBUEZBUOD-UHFFFAOYSA-N
MW251.06 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate

methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (PubChem CID 10060690) has the molecular formula C9H8Cl2O4 and a molecular weight of 251.06 g/mol. Its IUPAC name is methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
PubChem CID10060690
Molecular FormulaC9H8Cl2O4
Molecular Weight251.06 g/mol
Exact Mass249.98
IUPAC Namemethyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1Cl)C(=O)OC
InChIInChI=1S/C9H8Cl2O4/c1-4(8(12)14-2)3-5-6(10)7(11)9(13)15-5/h5H,1,3H2,2H3
InChIKeyMGLAOKBUEZBUOD-UHFFFAOYSA-N
XLogP1.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]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

Related Compounds

2(5H)-Furanone, 3,4-dichloro-5-(2-methyl-2-propenyl)-
CID 11321712
chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 142867685
methyl (2E)-5-chloro-2-[[(2R)-5-oxooxolan-2-yl]methylidene]pentanoate
CID 11265116
Methyl 2-(chloromethyl)-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 129921720
methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 142867686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (CID 10060690) is methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is C=C(CC1OC(=O)C(Cl)=C1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The InChIKey is MGLAOKBUEZBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O4/c1-4(8(12)14-2)3-5-6(10)7(11)9(13)15-5/h5H,1,3H2,2H3.
What are the key properties of methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate has a molecular weight of 251.06 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 10060690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).