didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium

C26H53N2O+ — CID 14093944

IUPACdidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O
InChIInChI=1S/C26H53N2O/c1-4-6-8-10-12-14-16-18-23-28(3,25-27-22-20-21-26(27)29)24-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3/q+1
InChIKeyPNLFWISCPGADJG-UHFFFAOYSA-N
MW409.72 g/mol
LogP7.29
Rot. Bonds20

About didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium

didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 14093944) has the molecular formula C26H53N2O+ and a molecular weight of 409.72 g/mol. Its IUPAC name is didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Namedidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID14093944
Molecular FormulaC26H53N2O+
Molecular Weight409.72 g/mol
Exact Mass409.42
IUPAC Namedidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O
InChIInChI=1S/C26H53N2O/c1-4-6-8-10-12-14-16-18-23-28(3,25-27-22-20-21-26(27)29)24-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3/q+1
InChIKeyPNLFWISCPGADJG-UHFFFAOYSA-N
XLogP7.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.72
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The IUPAC name of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 14093944) is didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is CCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O.
What is the InChIKey of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is PNLFWISCPGADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N2O/c1-4-6-8-10-12-14-16-18-23-28(3,25-27-22-20-21-26(27)29)24-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3/q+1.
What are the key properties of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 409.72 g/mol, XLogP of 7.29, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is sourced from PubChem (CID 14093944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).