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

C19H39ClN2O — CID 14093945

IUPACdodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C19H39N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21(2,3)18-20-16-14-15-19(20)22;/h4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyCZSOOFRBEPTOTJ-UHFFFAOYSA-M
MW346.99 g/mol
LogP1.57
Rot. Bonds13

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

dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (PubChem CID 14093945) has the molecular formula C19H39ClN2O and a molecular weight of 346.99 g/mol. Its IUPAC name is dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.

Molecular Properties

Compound Namedodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
PubChem CID14093945
Molecular FormulaC19H39ClN2O
Molecular Weight346.99 g/mol
Exact Mass346.28
IUPAC Namedodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C19H39N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21(2,3)18-20-16-14-15-19(20)22;/h4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyCZSOOFRBEPTOTJ-UHFFFAOYSA-M
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 51.57
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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Related Compounds

dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
CID 67875719
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837399
2-[dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837413
dimethyl-[3-[methyl-[(2-oxopyrrolidin-1-yl)methyl]-(3-tetradecoxypropyl)azaniumyl]propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837425
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
dimethyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-tetradecylazanium
CID 121391981
bis[3-(hexadecanoylamino)propyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 67875788
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[3-(undecanoylamino)propyl]azanium chloride
CID 67875855
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 3038567
methyl-[(2-oxopyrrolidin-1-yl)methyl]-bis[(tetradecanoylamino)methyl]azanium chloride
CID 67875777

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The IUPAC name of dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (CID 14093945) is dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.
What is the SMILES notation for dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The canonical SMILES for dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is CCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-].
What is the InChIKey of dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The InChIKey is CZSOOFRBEPTOTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H39N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21(2,3)18-20-16-14-15-19(20)22;/h4-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride has a molecular weight of 346.99 g/mol, XLogP of 1.57, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is sourced from PubChem (CID 14093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).