3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one

C21H26N2O2 — CID 119065374

IUPAC3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CC(c3ccccc3)C(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C21H26N2O2/c1-14(2)18-11-10-16(19(24)22-18)20(25)23-12-17(21(3,4)13-23)15-8-6-5-7-9-15/h5-11,14,17H,12-13H2,1-4H3,(H,22,24)
InChIKeyDQKLLNVGKHPLBC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.76
Rot. Bonds3

About 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one

3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 119065374) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID119065374
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CC(c3ccccc3)C(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C21H26N2O2/c1-14(2)18-11-10-16(19(24)22-18)20(25)23-12-17(21(3,4)13-23)15-8-6-5-7-9-15/h5-11,14,17H,12-13H2,1-4H3,(H,22,24)
InChIKeyDQKLLNVGKHPLBC-UHFFFAOYSA-N
XLogP3.76
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one (CID 119065374) is 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CC(c3ccccc3)C(C)(C)C2)c(=O)[nH]1.
What is the InChIKey of 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is DQKLLNVGKHPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)18-11-10-16(19(24)22-18)20(25)23-12-17(21(3,4)13-23)15-8-6-5-7-9-15/h5-11,14,17H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one?
3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 119065374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).