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

C8H17N2O+ — CID 3038567

IUPACtrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C8H17N2O/c1-10(2,3)7-9-6-4-5-8(9)11/h4-7H2,1-3H3/q+1
InChIKeyXFLWKPJKXNBEDY-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.27
Rot. Bonds2

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

trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (PubChem CID 3038567) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
PubChem CID3038567
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Nametrimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
SMILESC[N+](C)(C)CN1CCCC1=O
InChIInChI=1S/C8H17N2O/c1-10(2,3)7-9-6-4-5-8(9)11/h4-7H2,1-3H3/q+1
InChIKeyXFLWKPJKXNBEDY-UHFFFAOYSA-N
XLogP0.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
dodecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium chloride
CID 14093945
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
2-[dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl-dodecyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837413
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
dimethyl-[2-[methyl-nonyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]ethyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium dichloride
CID 19837399
dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
CID 67875719
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
CID 166715430
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The IUPAC name of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (CID 3038567) is trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is C[N+](C)(C)CN1CCCC1=O.
What is the InChIKey of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
The InChIKey is XFLWKPJKXNBEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O/c1-10(2,3)7-9-6-4-5-8(9)11/h4-7H2,1-3H3/q+1.
What are the key properties of trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium?
trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium has a molecular weight of 157.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is sourced from PubChem (CID 3038567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).