methyl 2-chloroprop-2-enoate

C4H5ClO2 — CID 6659

IUPACmethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC
InChIInChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKeyAWJZTPWDQYFQPQ-UHFFFAOYSA-N
MW120.53 g/mol
LogP0.91
Rot. Bonds1

About methyl 2-chloroprop-2-enoate

methyl 2-chloroprop-2-enoate (PubChem CID 6659) has the molecular formula C4H5ClO2 and a molecular weight of 120.53 g/mol. Its IUPAC name is methyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-chloroprop-2-enoate
PubChem CID6659
Molecular FormulaC4H5ClO2
Molecular Weight120.53 g/mol
Exact Mass120.00
IUPAC Namemethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC
InChIInChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKeyAWJZTPWDQYFQPQ-UHFFFAOYSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.53
LogP ≤ 50.91
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

Ethyl 2-chloro-2-propenoate
CID 12708
1,4-Dimethyl (2Z)-2-chloro-2-butenedioate
CID 5352849
1,4-Dimethyl (2E)-2-chloro-2-butenedioate
CID 6433737
Methyl Z-2,3-Dichloropropenoate
CID 5352273
Methyl (E)-2-chloro-2-butenoate
CID 5352850
Butyl 2-chloroacrylate
CID 83409
2-Propenoic acid, 2,3-dichloro-, methyl ester, (Z)-
CID 525089
(+)-s-Butyl 2-chloroacrylate
CID 17787791
Chloro isopropyl acrylate
CID 21642629
Potassium (E)-2-chloro-3-ethoxy-3-oxoprop-1-en-1-olate
CID 23711836
(Carbomethoxy)chloroketene
CID 117664273
Fluoromethyl 2-chloroprop-2-enoate
CID 168148914

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloroprop-2-enoate?
The IUPAC name of methyl 2-chloroprop-2-enoate (CID 6659) is methyl 2-chloroprop-2-enoate.
What is the SMILES notation for methyl 2-chloroprop-2-enoate?
The canonical SMILES for methyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloroprop-2-enoate?
The InChIKey is AWJZTPWDQYFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3.
What are the key properties of methyl 2-chloroprop-2-enoate?
methyl 2-chloroprop-2-enoate has a molecular weight of 120.53 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloroprop-2-enoate is sourced from PubChem (CID 6659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).