1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C16H25N3O2 — CID 70739842

IUPAC1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCCC[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1N(C)C
InChIInChI=1S/C16H25N3O2/c1-4-7-13-10-19(11-14(13)17(2)3)16(21)12-18-9-6-5-8-15(18)20/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLFCHFFBFGRPLMH-ZIAGYGMSSA-N
MW291.39 g/mol
LogP1.04
Rot. Bonds5

About 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 70739842) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID70739842
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCCC[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1N(C)C
InChIInChI=1S/C16H25N3O2/c1-4-7-13-10-19(11-14(13)17(2)3)16(21)12-18-9-6-5-8-15(18)20/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyLFCHFFBFGRPLMH-ZIAGYGMSSA-N
XLogP1.04
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 70739842) is 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is CCC[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1N(C)C.
What is the InChIKey of 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is LFCHFFBFGRPLMH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-7-13-10-19(11-14(13)17(2)3)16(21)12-18-9-6-5-8-15(18)20/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 70739842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).