(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone

C17H26N2O — CID 89477379

IUPAC(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
SMILESCC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H26N2O/c1-5-15-12-11-13(2)19(15)17(20)16(18(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3/t13-,15-,16-/m1/s1
InChIKeyWPUIDVZJYWSVSD-FVQBIDKESA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds4

About (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone

(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone (PubChem CID 89477379) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
PubChem CID89477379
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
SMILESCC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H26N2O/c1-5-15-12-11-13(2)19(15)17(20)16(18(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3/t13-,15-,16-/m1/s1
InChIKeyWPUIDVZJYWSVSD-FVQBIDKESA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone (CID 89477379) is (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone is CC[C@@H]1CC[C@@H](C)N1C(=O)[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is WPUIDVZJYWSVSD-FVQBIDKESA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-15-12-11-13(2)19(15)17(20)16(18(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3/t13-,15-,16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone?
(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 274.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 89477379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).