1-ethyl-5-oxopyrrolidine-3-carboxamide

C7H12N2O2 — CID 574438

IUPAC1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)
InChIKeyTWJSDJTWVVOXRT-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.66
Rot. Bonds2

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

1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 574438) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID574438
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)
InChIKeyTWJSDJTWVVOXRT-UHFFFAOYSA-N
XLogP-0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 574438) is 1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TWJSDJTWVVOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11).
What are the key properties of 1-ethyl-5-oxopyrrolidine-3-carboxamide?
1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 574438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).