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

C17H35ClN2O — CID 14093941

IUPACdecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C17H35N2O.ClH/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyNJBXSJASMLHAEY-UHFFFAOYSA-M
MW318.93 g/mol
LogP0.79
Rot. Bonds11

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

decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (PubChem CID 14093941) has the molecular formula C17H35ClN2O and a molecular weight of 318.93 g/mol. Its IUPAC name is decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.

Molecular Properties

Compound Namedecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
PubChem CID14093941
Molecular FormulaC17H35ClN2O
Molecular Weight318.93 g/mol
Exact Mass318.24
IUPAC Namedecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-]
InChIInChI=1S/C17H35N2O.ClH/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20;/h4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyNJBXSJASMLHAEY-UHFFFAOYSA-M
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 50.79
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 decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The IUPAC name of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride (CID 14093941) is decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride.
What is the SMILES notation for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The canonical SMILES for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is CCCCCCCCCC[N+](C)(C)CN1CCCC1=O.[Cl-].
What is the InChIKey of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
The InChIKey is NJBXSJASMLHAEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H35N2O.ClH/c1-4-5-6-7-8-9-10-11-15-19(2,3)16-18-14-12-13-17(18)20;/h4-16H2,1-3H3;1H/q+1;/p-1.
What are the key properties of decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride?
decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride has a molecular weight of 318.93 g/mol, XLogP of 0.79, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride is sourced from PubChem (CID 14093941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).