4-ethyl-4-methylpyrrolidin-2-one

C7H13NO — CID 18784903

IUPAC4-ethyl-4-methylpyrrolidin-2-one
SMILESCCC1(C)CNC(=O)C1
InChIInChI=1S/C7H13NO/c1-3-7(2)4-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyXXBDVSFUTMOBHO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds1

About 4-ethyl-4-methylpyrrolidin-2-one

4-ethyl-4-methylpyrrolidin-2-one (PubChem CID 18784903) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-4-methylpyrrolidin-2-one
PubChem CID18784903
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-ethyl-4-methylpyrrolidin-2-one
SMILESCCC1(C)CNC(=O)C1
InChIInChI=1S/C7H13NO/c1-3-7(2)4-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyXXBDVSFUTMOBHO-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-4-methylpyrrolidin-2-one (CID 18784903) is 4-ethyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-4-methylpyrrolidin-2-one is CCC1(C)CNC(=O)C1.
What is the InChIKey of 4-ethyl-4-methylpyrrolidin-2-one?
The InChIKey is XXBDVSFUTMOBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(2)4-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 4-ethyl-4-methylpyrrolidin-2-one?
4-ethyl-4-methylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 18784903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).