cyclopropylmethyl 3-oxopropanoate

C7H10O3 — CID 174157836

IUPACcyclopropylmethyl 3-oxopropanoate
SMILESO=CCC(=O)OCC1CC1
InChIInChI=1S/C7H10O3/c8-4-3-7(9)10-5-6-1-2-6/h4,6H,1-3,5H2
InChIKeyNTTZOIBFJDPQNS-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds4

About cyclopropylmethyl 3-oxopropanoate

cyclopropylmethyl 3-oxopropanoate (PubChem CID 174157836) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is cyclopropylmethyl 3-oxopropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-oxopropanoate
PubChem CID174157836
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecyclopropylmethyl 3-oxopropanoate
SMILESO=CCC(=O)OCC1CC1
InChIInChI=1S/C7H10O3/c8-4-3-7(9)10-5-6-1-2-6/h4,6H,1-3,5H2
InChIKeyNTTZOIBFJDPQNS-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-oxopropanoate?
The IUPAC name of cyclopropylmethyl 3-oxopropanoate (CID 174157836) is cyclopropylmethyl 3-oxopropanoate.
What is the SMILES notation for cyclopropylmethyl 3-oxopropanoate?
The canonical SMILES for cyclopropylmethyl 3-oxopropanoate is O=CCC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 3-oxopropanoate?
The InChIKey is NTTZOIBFJDPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-3-7(9)10-5-6-1-2-6/h4,6H,1-3,5H2.
What are the key properties of cyclopropylmethyl 3-oxopropanoate?
cyclopropylmethyl 3-oxopropanoate has a molecular weight of 142.15 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-oxopropanoate is sourced from PubChem (CID 174157836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).