(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one

C13H18N2O — CID 3034874

IUPAC(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](N(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-9-12(14(2)3)13(16)15(10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12-/m1/s1
InChIKeyAOJIWEQNRDHGJX-ZYHUDNBSSA-N
MW218.30 g/mol
LogP1.74
Rot. Bonds2

About (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one

(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one (PubChem CID 3034874) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one
PubChem CID3034874
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one
SMILESC[C@@H]1C[C@@H](N(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-9-12(14(2)3)13(16)15(10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12-/m1/s1
InChIKeyAOJIWEQNRDHGJX-ZYHUDNBSSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one (CID 3034874) is (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one is C[C@@H]1C[C@@H](N(C)C)C(=O)N1c1ccccc1.
What is the InChIKey of (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one?
The InChIKey is AOJIWEQNRDHGJX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-9-12(14(2)3)13(16)15(10)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one?
(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 3034874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).