(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one

C7H13NO — CID 124506925

IUPAC(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one
SMILESCC[C@H]1NC(=O)C[C@H]1C
InChIInChI=1S/C7H13NO/c1-3-6-5(2)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyDCEXOMXZGQYLOI-PHDIDXHHSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds1

About (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one

(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one (PubChem CID 124506925) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one
PubChem CID124506925
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4R,5R)-5-ethyl-4-methylpyrrolidin-2-one
SMILESCC[C@H]1NC(=O)C[C@H]1C
InChIInChI=1S/C7H13NO/c1-3-6-5(2)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyDCEXOMXZGQYLOI-PHDIDXHHSA-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 (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one (CID 124506925) is (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one is CC[C@H]1NC(=O)C[C@H]1C.
What is the InChIKey of (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one?
The InChIKey is DCEXOMXZGQYLOI-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-6-5(2)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one?
(4R,5R)-5-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 (4R,5R)-5-ethyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 124506925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).