(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C13H22N2O2 — CID 118444542

IUPAC(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)[C@@]1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)13(3)6-7-15(8-13)12(17)10-4-5-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-,13-/m0/s1
InChIKeyNUTPMFUZKOMUJB-GWCFXTLKSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds2

About (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 118444542) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID118444542
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)[C@@]1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)13(3)6-7-15(8-13)12(17)10-4-5-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-,13-/m0/s1
InChIKeyNUTPMFUZKOMUJB-GWCFXTLKSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 118444542) is (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is CC(C)[C@@]1(C)CCN(C(=O)[C@@H]2CCC(=O)N2)C1.
What is the InChIKey of (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NUTPMFUZKOMUJB-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)13(3)6-7-15(8-13)12(17)10-4-5-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-,13-/m0/s1.
What are the key properties of (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 118444542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).