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

C15H31N2O+ — CID 14552788

IUPACdimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C15H31N2O/c1-4-5-6-7-8-9-13-17(2,3)14-16-12-10-11-15(16)18/h4-14H2,1-3H3/q+1
InChIKeyJHFJXQFZMZUECL-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.00
Rot. Bonds9

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

dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 14552788) has the molecular formula C15H31N2O+ and a molecular weight of 255.43 g/mol. Its IUPAC name is dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID14552788
Molecular FormulaC15H31N2O+
Molecular Weight255.43 g/mol
Exact Mass255.24
IUPAC Namedimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C15H31N2O/c1-4-5-6-7-8-9-13-17(2,3)14-16-12-10-11-15(16)18/h4-14H2,1-3H3/q+1
InChIKeyJHFJXQFZMZUECL-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.00
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

1-Lauryl-2-pyrrolidone
CID 62459
N-Octylpyrrolidone
CID 3033871
1-Decylpyrrolidin-2-one
CID 171427
Cetyl pyrrolidonylmethyl dimonium chloride
CID 14093940
CID 3245472
CID 3245472
Hexadecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093939
1-Heptylpyrrolidin-2-one
CID 12283660
Bissuccinimidodecane
CID 22101699
Bissuccinimidooctane
CID 22101701
2-Pyrrolidinone, 1-[(diethylamino)methyl]-
CID 4737447
Trimethyl-[6-(2-oxopyrrolidin-1-yl)hexyl]azanium
CID 25202
Trimethyl(2-oxopyrrolidin-1-ylmethyl)ammonium iodide
CID 3038566

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The IUPAC name of dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 14552788) is dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is CCCCCCCC[N+](C)(C)CN1CCCC1=O.
What is the InChIKey of dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is JHFJXQFZMZUECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2O/c1-4-5-6-7-8-9-13-17(2,3)14-16-12-10-11-15(16)18/h4-14H2,1-3H3/q+1.
What are the key properties of dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 255.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is sourced from PubChem (CID 14552788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).