methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate

C13H23NO2 — CID 155441182

IUPACmethyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate
SMILESCCCN(C)C1(C)CCC=C1CC(=O)OC
InChIInChI=1S/C13H23NO2/c1-5-9-14(3)13(2)8-6-7-11(13)10-12(15)16-4/h7H,5-6,8-10H2,1-4H3
InChIKeyYMWFWGZHDUCPSL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds5

About methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate

methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate (PubChem CID 155441182) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate
PubChem CID155441182
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate
SMILESCCCN(C)C1(C)CCC=C1CC(=O)OC
InChIInChI=1S/C13H23NO2/c1-5-9-14(3)13(2)8-6-7-11(13)10-12(15)16-4/h7H,5-6,8-10H2,1-4H3
InChIKeyYMWFWGZHDUCPSL-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate (CID 155441182) is methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate is CCCN(C)C1(C)CCC=C1CC(=O)OC.
What is the InChIKey of methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate?
The InChIKey is YMWFWGZHDUCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-9-14(3)13(2)8-6-7-11(13)10-12(15)16-4/h7H,5-6,8-10H2,1-4H3.
What are the key properties of methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate?
methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate has a molecular weight of 225.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-5-[methyl(propyl)amino]cyclopenten-1-yl]acetate is sourced from PubChem (CID 155441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).