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

C10H11ClO4 — CID 142867686

IUPACmethyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC
InChIInChI=1S/C10H11ClO4/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7/h7H,1,4H2,2-3H3
InChIKeyNGAUAJVTVCQEEL-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.54
Rot. Bonds3

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

methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (PubChem CID 142867686) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
PubChem CID142867686
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC
InChIInChI=1S/C10H11ClO4/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7/h7H,1,4H2,2-3H3
InChIKeyNGAUAJVTVCQEEL-UHFFFAOYSA-N
XLogP1.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(4-chloro-3-methyl-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

methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 10060690
methyl (4R)-4-ethoxycyclopentene-1-carboxylate
CID 15937088
methyl (4S)-4-ethoxycyclopentene-1-carboxylate
CID 101625426
ethyl 2-[(3,4-dimethyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 21037704
5-Ethyl-3-ethylideneoxolan-2-one
CID 66865787
1-(2,5-Dioxofuran-3-yl)butan-2-yl prop-2-enoate
CID 140146689
1-(2,5-Dioxofuran-3-yl)butan-2-yl 2-methylprop-2-enoate
CID 140146707
chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 142867685
Methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10535428
Methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10681002
Ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10681772
3-Propan-2-ylidene-5-prop-1-en-2-yloxolan-2-one
CID 10773371

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (CID 142867686) is methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is C=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The InChIKey is NGAUAJVTVCQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7/h7H,1,4H2,2-3H3.
What are the key properties of methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate has a molecular weight of 230.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 142867686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).