trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium

C10H21N2O+ — CID 23918

IUPACtrimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
SMILESC[N+](C)(C)CCCN1CCCC1=O
InChIInChI=1S/C10H21N2O/c1-12(2,3)9-5-8-11-7-4-6-10(11)13/h4-9H2,1-3H3/q+1
InChIKeyHOBGGXPVNKIBMJ-UHFFFAOYSA-N
MW185.29 g/mol
LogP0.71
Rot. Bonds4

About trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium

trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium (PubChem CID 23918) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
PubChem CID23918
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nametrimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
SMILESC[N+](C)(C)CCCN1CCCC1=O
InChIInChI=1S/C10H21N2O/c1-12(2,3)9-5-8-11-7-4-6-10(11)13/h4-9H2,1-3H3/q+1
InChIKeyHOBGGXPVNKIBMJ-UHFFFAOYSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.71
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-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 3038567
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
trioctadecyl-[2-(2-oxopyrrolidin-1-yl)ethyl]azanium
CID 67875856
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(4,4-dimethylhexyl)pyrrolidin-2-one
CID 138551273
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-[dimethoxy(methyl)silyl]propyl]pyrrolidin-2-one
CID 19753601
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The IUPAC name of trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium (CID 23918) is trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium.
What is the SMILES notation for trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The canonical SMILES for trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium is C[N+](C)(C)CCCN1CCCC1=O.
What is the InChIKey of trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
The InChIKey is HOBGGXPVNKIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-12(2,3)9-5-8-11-7-4-6-10(11)13/h4-9H2,1-3H3/q+1.
What are the key properties of trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium?
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium has a molecular weight of 185.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium is sourced from PubChem (CID 23918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).