3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one

C9H18N2O — CID 144903312

IUPAC3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one
SMILESCCN(C)CC1(C)CCNC1=O
InChIInChI=1S/C9H18N2O/c1-4-11(3)7-9(2)5-6-10-8(9)12/h4-7H2,1-3H3,(H,10,12)
InChIKeyRPSRKYYEYHHZHW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds3

About 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one

3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one (PubChem CID 144903312) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one
PubChem CID144903312
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one
SMILESCCN(C)CC1(C)CCNC1=O
InChIInChI=1S/C9H18N2O/c1-4-11(3)7-9(2)5-6-10-8(9)12/h4-7H2,1-3H3,(H,10,12)
InChIKeyRPSRKYYEYHHZHW-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one (CID 144903312) is 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one is CCN(C)CC1(C)CCNC1=O.
What is the InChIKey of 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one?
The InChIKey is RPSRKYYEYHHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-11(3)7-9(2)5-6-10-8(9)12/h4-7H2,1-3H3,(H,10,12).
What are the key properties of 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one?
3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)amino]methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 144903312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).