cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate

C13H21NO3 — CID 91011268

IUPACcyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate
SMILESCC(C)C/C(=N\CC=O)C(=O)OC1CCCC1
InChIInChI=1S/C13H21NO3/c1-10(2)9-12(14-7-8-15)13(16)17-11-5-3-4-6-11/h8,10-11H,3-7,9H2,1-2H3/b14-12+
InChIKeyDCUVVWNELISUCL-WYMLVPIESA-N
MW239.31 g/mol
LogP2.16
Rot. Bonds6

About cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate

cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate (PubChem CID 91011268) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate.

Molecular Properties

Compound Namecyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate
PubChem CID91011268
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate
SMILESCC(C)C/C(=N\CC=O)C(=O)OC1CCCC1
InChIInChI=1S/C13H21NO3/c1-10(2)9-12(14-7-8-15)13(16)17-11-5-3-4-6-11/h8,10-11H,3-7,9H2,1-2H3/b14-12+
InChIKeyDCUVVWNELISUCL-WYMLVPIESA-N
XLogP2.16
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate?
The IUPAC name of cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate (CID 91011268) is cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate.
What is the SMILES notation for cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate?
The canonical SMILES for cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate is CC(C)C/C(=N\CC=O)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate?
The InChIKey is DCUVVWNELISUCL-WYMLVPIESA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(2)9-12(14-7-8-15)13(16)17-11-5-3-4-6-11/h8,10-11H,3-7,9H2,1-2H3/b14-12+.
What are the key properties of cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate?
cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate has a molecular weight of 239.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-methyl-2-(2-oxoethylimino)pentanoate is sourced from PubChem (CID 91011268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).