dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium

C12H25N2O+ — CID 59365544

IUPACdimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium
SMILESCCC[N+](C)(C)CCN1C(=O)CCC1C
InChIInChI=1S/C12H25N2O/c1-5-9-14(3,4)10-8-13-11(2)6-7-12(13)15/h11H,5-10H2,1-4H3/q+1
InChIKeyAPCJSZRPZDWFPD-UHFFFAOYSA-N
MW213.34 g/mol
LogP1.48
Rot. Bonds5

About dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium

dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium (PubChem CID 59365544) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium
PubChem CID59365544
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC Namedimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium
SMILESCCC[N+](C)(C)CCN1C(=O)CCC1C
InChIInChI=1S/C12H25N2O/c1-5-9-14(3,4)10-8-13-11(2)6-7-12(13)15/h11H,5-10H2,1-4H3/q+1
InChIKeyAPCJSZRPZDWFPD-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium?
The IUPAC name of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium (CID 59365544) is dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium.
What is the SMILES notation for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium?
The canonical SMILES for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium is CCC[N+](C)(C)CCN1C(=O)CCC1C.
What is the InChIKey of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium?
The InChIKey is APCJSZRPZDWFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O/c1-5-9-14(3,4)10-8-13-11(2)6-7-12(13)15/h11H,5-10H2,1-4H3/q+1.
What are the key properties of dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium?
dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium has a molecular weight of 213.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methyl-5-oxopyrrolidin-1-yl)ethyl]-propylazanium is sourced from PubChem (CID 59365544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).