cycloheptyl 2-methylpyrrolidine-3-carboxylate

C13H23NO2 — CID 79371763

IUPACcycloheptyl 2-methylpyrrolidine-3-carboxylate
SMILESCC1NCCC1C(=O)OC1CCCCCC1
InChIInChI=1S/C13H23NO2/c1-10-12(8-9-14-10)13(15)16-11-6-4-2-3-5-7-11/h10-12,14H,2-9H2,1H3
InChIKeyJIEZUROZEIOGTF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds2

About cycloheptyl 2-methylpyrrolidine-3-carboxylate

cycloheptyl 2-methylpyrrolidine-3-carboxylate (PubChem CID 79371763) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cycloheptyl 2-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namecycloheptyl 2-methylpyrrolidine-3-carboxylate
PubChem CID79371763
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecycloheptyl 2-methylpyrrolidine-3-carboxylate
SMILESCC1NCCC1C(=O)OC1CCCCCC1
InChIInChI=1S/C13H23NO2/c1-10-12(8-9-14-10)13(15)16-11-6-4-2-3-5-7-11/h10-12,14H,2-9H2,1H3
InChIKeyJIEZUROZEIOGTF-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-methylpyrrolidine-3-carboxylate?
The IUPAC name of cycloheptyl 2-methylpyrrolidine-3-carboxylate (CID 79371763) is cycloheptyl 2-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for cycloheptyl 2-methylpyrrolidine-3-carboxylate?
The canonical SMILES for cycloheptyl 2-methylpyrrolidine-3-carboxylate is CC1NCCC1C(=O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl 2-methylpyrrolidine-3-carboxylate?
The InChIKey is JIEZUROZEIOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-12(8-9-14-10)13(15)16-11-6-4-2-3-5-7-11/h10-12,14H,2-9H2,1H3.
What are the key properties of cycloheptyl 2-methylpyrrolidine-3-carboxylate?
cycloheptyl 2-methylpyrrolidine-3-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 79371763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).