methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C10H11ClO4 — CID 10681002

IUPACmethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)Cl)O1
InChIInChI=1S/C10H11ClO4/c1-5(2)7-4-6(10(13)14-3)8(15-7)9(11)12/h7H,1,4H2,2-3H3
InChIKeyPASZRIUTZSXGMA-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.54
Rot. Bonds3

About methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10681002) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10681002
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C(C(=O)Cl)O1
InChIInChI=1S/C10H11ClO4/c1-5(2)7-4-6(10(13)14-3)8(15-7)9(11)12/h7H,1,4H2,2-3H3
InChIKeyPASZRIUTZSXGMA-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': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
CID 10489417
Methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10535428
Ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10608504
Ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10681772
Ethyl 5-acetyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10751604
Diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
CID 10848531
Methyl 5-(2-chloro-2-oxoethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 21784172
Dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate
CID 131853922
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 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10681002) is methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OC)=C(C(=O)Cl)O1.
What is the InChIKey of methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is PASZRIUTZSXGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5(2)7-4-6(10(13)14-3)8(15-7)9(11)12/h7H,1,4H2,2-3H3.
What are the key properties of methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate 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 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).