methyl 2-(cyclopropanecarbonyl)prop-2-enoate

C8H10O3 — CID 123596108

IUPACmethyl 2-(cyclopropanecarbonyl)prop-2-enoate
SMILESC=C(C(=O)OC)C(=O)C1CC1
InChIInChI=1S/C8H10O3/c1-5(8(10)11-2)7(9)6-3-4-6/h6H,1,3-4H2,2H3
InChIKeyFUBQPHHBWHPWIF-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-(cyclopropanecarbonyl)prop-2-enoate

methyl 2-(cyclopropanecarbonyl)prop-2-enoate (PubChem CID 123596108) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 2-(cyclopropanecarbonyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropanecarbonyl)prop-2-enoate
PubChem CID123596108
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 2-(cyclopropanecarbonyl)prop-2-enoate
SMILESC=C(C(=O)OC)C(=O)C1CC1
InChIInChI=1S/C8H10O3/c1-5(8(10)11-2)7(9)6-3-4-6/h6H,1,3-4H2,2H3
InChIKeyFUBQPHHBWHPWIF-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-(cyclopropylmethyl)prop-2-enoate
CID 642985
Methyl 4-methyl-2-methylidene-3-oxopentanoate
CID 89099572
(1-Cyclopropyl-2-methylidene-3-oxobutyl) acetate
CID 86030569
Methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate
CID 101370995
Tert-butyl 5-methyl-2-methylidene-3-oxohexanoate
CID 15091157
Tert-butyl 4-methyl-2-methylidene-3-oxohexanoate
CID 15091160
ethyl (2E)-2-(ethoxymethylidene)-5-methyl-3-oxohexanoate
CID 12524330
Ethyl isobutyrylacrylate
CID 19867623
ethyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate
CID 23046226
Ethyl beta-cyclopropyl-alpha-ethoxymethylene-beta-ketopropionate
CID 57004106
propan-2-yl (4R)-4,5-dimethyl-2-methylidene-3-oxohexanoate
CID 58957809
methyl (Z)-2-(cyclopropanecarbonyl)-3-ethoxyprop-2-enoate
CID 67072021

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropanecarbonyl)prop-2-enoate?
The IUPAC name of methyl 2-(cyclopropanecarbonyl)prop-2-enoate (CID 123596108) is methyl 2-(cyclopropanecarbonyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(cyclopropanecarbonyl)prop-2-enoate?
The canonical SMILES for methyl 2-(cyclopropanecarbonyl)prop-2-enoate is C=C(C(=O)OC)C(=O)C1CC1.
What is the InChIKey of methyl 2-(cyclopropanecarbonyl)prop-2-enoate?
The InChIKey is FUBQPHHBWHPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(8(10)11-2)7(9)6-3-4-6/h6H,1,3-4H2,2H3.
What are the key properties of methyl 2-(cyclopropanecarbonyl)prop-2-enoate?
methyl 2-(cyclopropanecarbonyl)prop-2-enoate has a molecular weight of 154.16 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropanecarbonyl)prop-2-enoate is sourced from PubChem (CID 123596108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).