methyl 3-cyclopropyl-2,3-dioxopropanoate

C7H8O4 — CID 142370646

IUPACmethyl 3-cyclopropyl-2,3-dioxopropanoate
SMILESCOC(=O)C(=O)C(=O)C1CC1
InChIInChI=1S/C7H8O4/c1-11-7(10)6(9)5(8)4-2-3-4/h4H,2-3H2,1H3
InChIKeyZSGMURTUWLIERJ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.29
Rot. Bonds3

About methyl 3-cyclopropyl-2,3-dioxopropanoate

methyl 3-cyclopropyl-2,3-dioxopropanoate (PubChem CID 142370646) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl 3-cyclopropyl-2,3-dioxopropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-2,3-dioxopropanoate
PubChem CID142370646
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Namemethyl 3-cyclopropyl-2,3-dioxopropanoate
SMILESCOC(=O)C(=O)C(=O)C1CC1
InChIInChI=1S/C7H8O4/c1-11-7(10)6(9)5(8)4-2-3-4/h4H,2-3H2,1H3
InChIKeyZSGMURTUWLIERJ-UHFFFAOYSA-N
XLogP-0.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
CID 69182024
1-cyclopropylbutane-1,2,3-trione
CID 57279624
methyl 2-(cyclopentanecarbonyl)prop-2-enoate
CID 126552661
methyl 4-oxamoylcyclohexane-1-carboxylate
CID 173390857
dimethyl oxalate
CID 11120
ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 3-chloro-4-cyclopropyl-2,4-dioxobutanoate
CID 25246958
methyl 2-oxo-2-pyrrolidin-3-ylacetate
CID 69176388
methyl 2,3-dicyclopentylprop-2-enoate
CID 57152498
ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
CID 66901539
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-2,3-dioxopropanoate?
The IUPAC name of methyl 3-cyclopropyl-2,3-dioxopropanoate (CID 142370646) is methyl 3-cyclopropyl-2,3-dioxopropanoate.
What is the SMILES notation for methyl 3-cyclopropyl-2,3-dioxopropanoate?
The canonical SMILES for methyl 3-cyclopropyl-2,3-dioxopropanoate is COC(=O)C(=O)C(=O)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-2,3-dioxopropanoate?
The InChIKey is ZSGMURTUWLIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-7(10)6(9)5(8)4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of methyl 3-cyclopropyl-2,3-dioxopropanoate?
methyl 3-cyclopropyl-2,3-dioxopropanoate has a molecular weight of 156.14 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-2,3-dioxopropanoate is sourced from PubChem (CID 142370646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).