N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C13H22N2O2 — CID 51361558

IUPACN-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H22N2O2/c1-3-4-9-14-12(17)13(2)8-7-11(16)15(13)10-5-6-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyXYSHNXGKAMWICO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds5

About N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361558) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361558
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1C1CC1
InChIInChI=1S/C13H22N2O2/c1-3-4-9-14-12(17)13(2)8-7-11(16)15(13)10-5-6-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyXYSHNXGKAMWICO-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361558) is N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1C1CC1.
What is the InChIKey of N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XYSHNXGKAMWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-9-14-12(17)13(2)8-7-11(16)15(13)10-5-6-10/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclopropyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).