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

C26H53ClN2O — CID 14093943

IUPACdidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C26H53N2O.ClH/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;1H/q+1;/p-1
InChIKeyVYURMSGIXAAJBC-UHFFFAOYSA-M
MW445.18 g/mol
LogP4.30
Rot. Bonds20

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

didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (PubChem CID 14093943) has the molecular formula C26H53ClN2O and a molecular weight of 445.18 g/mol. Its IUPAC name is didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.

Molecular Properties

Compound Namedidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
PubChem CID14093943
Molecular FormulaC26H53ClN2O
Molecular Weight445.18 g/mol
Exact Mass444.38
IUPAC Namedidecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C26H53N2O.ClH/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;1H/q+1;/p-1
InChIKeyVYURMSGIXAAJBC-UHFFFAOYSA-M
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.18
LogP ≤ 54.30
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 chloride?
The IUPAC name of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (CID 14093943) is didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.
What is the SMILES notation for didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The canonical SMILES for didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is CCCCCCCCCC[N+](C)(CCCCCCCCCC)CN1CCCC1=O.[Cl-].
What is the InChIKey of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The InChIKey is VYURMSGIXAAJBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H53N2O.ClH/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;1H/q+1;/p-1.
What are the key properties of didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
didecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride has a molecular weight of 445.18 g/mol, XLogP of 4.30, 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 chloride is sourced from PubChem (CID 14093943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).