methyl 3-cyclopropyl-3-oxopropanoate

C7H10O3 — CID 10130016

IUPACmethyl 3-cyclopropyl-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CC1
InChIInChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKeyRIJWDPRXCXJDPK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds3

About methyl 3-cyclopropyl-3-oxopropanoate

methyl 3-cyclopropyl-3-oxopropanoate (PubChem CID 10130016) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl 3-cyclopropyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-3-oxopropanoate
PubChem CID10130016
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl 3-cyclopropyl-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CC1
InChIInChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKeyRIJWDPRXCXJDPK-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-3-oxopropanoate?
The IUPAC name of methyl 3-cyclopropyl-3-oxopropanoate (CID 10130016) is methyl 3-cyclopropyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-cyclopropyl-3-oxopropanoate?
The canonical SMILES for methyl 3-cyclopropyl-3-oxopropanoate is COC(=O)CC(=O)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-3-oxopropanoate?
The InChIKey is RIJWDPRXCXJDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of methyl 3-cyclopropyl-3-oxopropanoate?
methyl 3-cyclopropyl-3-oxopropanoate has a molecular weight of 142.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-3-oxopropanoate is sourced from PubChem (CID 10130016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).