1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H19N3O2 — CID 106318282

IUPAC1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2CNC2)C1
InChIInChI=1S/C11H19N3O2/c1-11(10(16)12-2)3-4-14(7-11)9(15)8-5-13-6-8/h8,13H,3-7H2,1-2H3,(H,12,16)
InChIKeyXECHVEWAAKFWBG-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.81
Rot. Bonds2

About 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318282) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318282
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)C2CNC2)C1
InChIInChI=1S/C11H19N3O2/c1-11(10(16)12-2)3-4-14(7-11)9(15)8-5-13-6-8/h8,13H,3-7H2,1-2H3,(H,12,16)
InChIKeyXECHVEWAAKFWBG-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318282) is 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)C2CNC2)C1.
What is the InChIKey of 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XECHVEWAAKFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(10(16)12-2)3-4-14(7-11)9(15)8-5-13-6-8/h8,13H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).