methyl 3-chloro-2-methylprop-2-enoate

C5H7ClO2 — CID 54075272

IUPACmethyl 3-chloro-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=CCl
InChIInChI=1S/C5H7ClO2/c1-4(3-6)5(7)8-2/h3H,1-2H3
InChIKeyMJFYKGUKOYPESV-UHFFFAOYSA-N
MW134.56 g/mol
LogP1.30
Rot. Bonds1

About methyl 3-chloro-2-methylprop-2-enoate

methyl 3-chloro-2-methylprop-2-enoate (PubChem CID 54075272) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is methyl 3-chloro-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-methylprop-2-enoate
PubChem CID54075272
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Namemethyl 3-chloro-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=CCl
InChIInChI=1S/C5H7ClO2/c1-4(3-6)5(7)8-2/h3H,1-2H3
InChIKeyMJFYKGUKOYPESV-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-chloro-2-methylprop-2-enoate
CID 12586999
methyl (Z)-3-fluoro-2-methylprop-2-enoate
CID 12587009
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
dimethyl 2-methylbut-2-enedioate
CID 12045
methyl 3-chloro-2-fluoroprop-2-enoate
CID 71377528
methyl (Z)-2-bromobut-2-enoate
CID 6372571
azane;dimethyl (E)-2-methylbut-2-enedioate
CID 139366978
acetic acid;methyl 2-methyl-4-oxopent-2-enoate
CID 174282398
methyl (Z)-4-amino-2-methyl-4-oxobut-2-enoate
CID 88519783
dimethyl oxalate
CID 11120
ethanamine;methyl 2-methylbut-2-enoate
CID 175288046
methyl (2E,4S,5E)-6-iodo-2,4-dimethylhexa-2,5-dienoate
CID 11975139

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-methylprop-2-enoate?
The IUPAC name of methyl 3-chloro-2-methylprop-2-enoate (CID 54075272) is methyl 3-chloro-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-chloro-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-chloro-2-methylprop-2-enoate is COC(=O)C(C)=CCl.
What is the InChIKey of methyl 3-chloro-2-methylprop-2-enoate?
The InChIKey is MJFYKGUKOYPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-4(3-6)5(7)8-2/h3H,1-2H3.
What are the key properties of methyl 3-chloro-2-methylprop-2-enoate?
methyl 3-chloro-2-methylprop-2-enoate has a molecular weight of 134.56 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-methylprop-2-enoate is sourced from PubChem (CID 54075272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).