1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

C10H20N2O — CID 115267025

IUPAC1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1(C)CNC
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-7-5-6-10(12,2)8-11-3/h11H,4-8H2,1-3H3
InChIKeyVQPLFJIMUOPZRB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds3

About 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 115267025) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID115267025
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1(C)CNC
InChIInChI=1S/C10H20N2O/c1-4-9(13)12-7-5-6-10(12,2)8-11-3/h11H,4-8H2,1-3H3
InChIKeyVQPLFJIMUOPZRB-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (CID 115267025) is 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1(C)CNC.
What is the InChIKey of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VQPLFJIMUOPZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-9(13)12-7-5-6-10(12,2)8-11-3/h11H,4-8H2,1-3H3.
What are the key properties of 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 115267025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).