1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide

C13H21N3O2 — CID 170982794

IUPAC1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)[C@@H]2N[C@@H]2C2CC2)CC1C
InChIInChI=1S/C13H21N3O2/c1-7-5-16(6-9(7)12(17)14-2)13(18)11-10(15-11)8-3-4-8/h7-11,15H,3-6H2,1-2H3,(H,14,17)/t7?,9?,10-,11-/m1/s1
InChIKeyGIKDHXKGSVZNEX-LTCAWXSRSA-N
MW251.33 g/mol
LogP-0.42
Rot. Bonds3

About 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide

1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide (PubChem CID 170982794) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide
PubChem CID170982794
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)[C@@H]2N[C@@H]2C2CC2)CC1C
InChIInChI=1S/C13H21N3O2/c1-7-5-16(6-9(7)12(17)14-2)13(18)11-10(15-11)8-3-4-8/h7-11,15H,3-6H2,1-2H3,(H,14,17)/t7?,9?,10-,11-/m1/s1
InChIKeyGIKDHXKGSVZNEX-LTCAWXSRSA-N
XLogP-0.42
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide (CID 170982794) is 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1CN(C(=O)[C@@H]2N[C@@H]2C2CC2)CC1C.
What is the InChIKey of 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide?
The InChIKey is GIKDHXKGSVZNEX-LTCAWXSRSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7-5-16(6-9(7)12(17)14-2)13(18)11-10(15-11)8-3-4-8/h7-11,15H,3-6H2,1-2H3,(H,14,17)/t7?,9?,10-,11-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide?
1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 170982794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).