3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C15H21N3O2 — CID 72880310

IUPAC3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C1CC1
InChIInChI=1S/C15H21N3O2/c1-17(2)13-9-18(8-12(13)10-5-6-10)15(20)11-4-3-7-16-14(11)19/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyCGYZPCLHSQCVPU-OLZOCXBDSA-N
MW275.35 g/mol
LogP0.79
Rot. Bonds3

About 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72880310) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID72880310
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCN(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C1CC1
InChIInChI=1S/C15H21N3O2/c1-17(2)13-9-18(8-12(13)10-5-6-10)15(20)11-4-3-7-16-14(11)19/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyCGYZPCLHSQCVPU-OLZOCXBDSA-N
XLogP0.79
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 72880310) is 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CN(C)[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1C1CC1.
What is the InChIKey of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CGYZPCLHSQCVPU-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(2)13-9-18(8-12(13)10-5-6-10)15(20)11-4-3-7-16-14(11)19/h3-4,7,10,12-13H,5-6,8-9H2,1-2H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72880310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).