5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide

C8H12N2O2 — CID 91296792

IUPAC5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h6H,1,3-4H2,2H3,(H,9,12)(H,10,11)
InChIKeyURGUPPVTEDQSPQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.09
Rot. Bonds2

About 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide

5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide (PubChem CID 91296792) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
PubChem CID91296792
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide
SMILESC=C(C)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h6H,1,3-4H2,2H3,(H,9,12)(H,10,11)
InChIKeyURGUPPVTEDQSPQ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxopyrrolidine-2-carboxamide
CID 220461
(S)-5-Oxopyrrolidine-2-carboxamide
CID 444439
(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
CID 103655672
(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 12443919
(S)-N,N-Diethyl-5-oxopyrrolidine-2-carboxamide
CID 13210764
L-pyroglutamic acid n-butyl amide
CID 15486634
(S)-N,N-Dimethyl-5-oxopyrrolidine-2-carboxamide
CID 21141124
L-pyroglutamic acid n-hexyl amide
CID 54158437
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
Pyroglutamylalanine amide
CID 127574
N,N-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 354878
5-oxo-L-propyl-L-prolinamide
CID 6454536

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide (CID 91296792) is 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide is C=C(C)NC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
The InChIKey is URGUPPVTEDQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)9-8(12)6-3-4-7(11)10-6/h6H,1,3-4H2,2H3,(H,9,12)(H,10,11).
What are the key properties of 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide?
5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-prop-1-en-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91296792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).