1-tert-butyl-5-oxopyrrolidine-3-carboxamide

C9H16N2O2 — CID 17081056

IUPAC1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-5-6(8(10)13)4-7(11)12/h6H,4-5H2,1-3H3,(H2,10,13)
InChIKeyMGCBUXSMONQUSA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.12
Rot. Bonds1

About 1-tert-butyl-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081056) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17081056
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-5-6(8(10)13)4-7(11)12/h6H,4-5H2,1-3H3,(H2,10,13)
InChIKeyMGCBUXSMONQUSA-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 17081056) is 1-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MGCBUXSMONQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)11-5-6(8(10)13)4-7(11)12/h6H,4-5H2,1-3H3,(H2,10,13).
What are the key properties of 1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).