2-butyl-5-oxopyrrolidine-1-carboxamide

C9H16N2O2 — CID 69166364

IUPAC2-butyl-5-oxopyrrolidine-1-carboxamide
SMILESCCCCC1CCC(=O)N1C(N)=O
InChIInChI=1S/C9H16N2O2/c1-2-3-4-7-5-6-8(12)11(7)9(10)13/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyYUUOMIRXIIZVQW-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.25
Rot. Bonds3

About 2-butyl-5-oxopyrrolidine-1-carboxamide

2-butyl-5-oxopyrrolidine-1-carboxamide (PubChem CID 69166364) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-butyl-5-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-butyl-5-oxopyrrolidine-1-carboxamide
PubChem CID69166364
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-butyl-5-oxopyrrolidine-1-carboxamide
SMILESCCCCC1CCC(=O)N1C(N)=O
InChIInChI=1S/C9H16N2O2/c1-2-3-4-7-5-6-8(12)11(7)9(10)13/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyYUUOMIRXIIZVQW-UHFFFAOYSA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-oxopyrrolidine-1-carboxamide?
The IUPAC name of 2-butyl-5-oxopyrrolidine-1-carboxamide (CID 69166364) is 2-butyl-5-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-butyl-5-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 2-butyl-5-oxopyrrolidine-1-carboxamide is CCCCC1CCC(=O)N1C(N)=O.
What is the InChIKey of 2-butyl-5-oxopyrrolidine-1-carboxamide?
The InChIKey is YUUOMIRXIIZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-7-5-6-8(12)11(7)9(10)13/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of 2-butyl-5-oxopyrrolidine-1-carboxamide?
2-butyl-5-oxopyrrolidine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 69166364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).