cyclopropanone;methyl 2-methylprop-2-enoate

C8H12O3 — CID 69017086

IUPACcyclopropanone;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.O=C1CC1
InChIInChI=1S/C5H8O2.C3H4O/c1-4(2)5(6)7-3;4-3-1-2-3/h1H2,2-3H3;1-2H2
InChIKeyGNPGNNOESDTOKN-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.08
Rot. Bonds1

About cyclopropanone;methyl 2-methylprop-2-enoate

cyclopropanone;methyl 2-methylprop-2-enoate (PubChem CID 69017086) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is cyclopropanone;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopropanone;methyl 2-methylprop-2-enoate
PubChem CID69017086
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namecyclopropanone;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.O=C1CC1
InChIInChI=1S/C5H8O2.C3H4O/c1-4(2)5(6)7-3;4-3-1-2-3/h1H2,2-3H3;1-2H2
InChIKeyGNPGNNOESDTOKN-UHFFFAOYSA-N
XLogP1.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
cyclobutene-1,2-dicarboxylic acid;methyl 2-methylprop-2-enoate
CID 88665884
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
methyl 2-methylprop-2-enoate;1-methylpyrrolidin-2-one
CID 172712369
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199

Frequently Asked Questions

What is the IUPAC name of cyclopropanone;methyl 2-methylprop-2-enoate?
The IUPAC name of cyclopropanone;methyl 2-methylprop-2-enoate (CID 69017086) is cyclopropanone;methyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopropanone;methyl 2-methylprop-2-enoate?
The canonical SMILES for cyclopropanone;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.O=C1CC1.
What is the InChIKey of cyclopropanone;methyl 2-methylprop-2-enoate?
The InChIKey is GNPGNNOESDTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C3H4O/c1-4(2)5(6)7-3;4-3-1-2-3/h1H2,2-3H3;1-2H2.
What are the key properties of cyclopropanone;methyl 2-methylprop-2-enoate?
cyclopropanone;methyl 2-methylprop-2-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanone;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 69017086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).