1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

C11H20N2O2 — CID 17082579

IUPAC1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCC)CC1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-6-13-8-9(7-10(13)14)11(15)12-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyLDOOGEUUNMLIRA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds5

About 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide

1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082579) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17082579
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCC)CC1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-6-13-8-9(7-10(13)14)11(15)12-4-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyLDOOGEUUNMLIRA-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 17082579) is 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NCC)CC1=O.
What is the InChIKey of 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LDOOGEUUNMLIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-6-13-8-9(7-10(13)14)11(15)12-4-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).