methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate

C20H35NO3 — CID 163671275

IUPACmethyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCCCCCCCCCCCC2)C1
InChIInChI=1S/C20H35NO3/c1-24-20(23)17-15-19(22)21(16-17)18-13-11-9-7-5-3-2-4-6-8-10-12-14-18/h17-18H,2-16H2,1H3
InChIKeyJCTGEIVWPOHUPD-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.46
Rot. Bonds2

About methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate

methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 163671275) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate
PubChem CID163671275
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Namemethyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CCCCCCCCCCCCC2)C1
InChIInChI=1S/C20H35NO3/c1-24-20(23)17-15-19(22)21(16-17)18-13-11-9-7-5-3-2-4-6-8-10-12-14-18/h17-18H,2-16H2,1H3
InChIKeyJCTGEIVWPOHUPD-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate (CID 163671275) is methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2CCCCCCCCCCCCC2)C1.
What is the InChIKey of methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is JCTGEIVWPOHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-24-20(23)17-15-19(22)21(16-17)18-13-11-9-7-5-3-2-4-6-8-10-12-14-18/h17-18H,2-16H2,1H3.
What are the key properties of methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate?
methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 163671275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).