(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide

C8H12N2O2 — CID 103655672

IUPAC(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-2-5-9-8(12)6-3-4-7(11)10-6/h2,6H,1,3-5H2,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyWGPQSPSQJHFADT-LURJTMIESA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds3

About (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide

(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 103655672) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID103655672
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-2-5-9-8(12)6-3-4-7(11)10-6/h2,6H,1,3-5H2,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyWGPQSPSQJHFADT-LURJTMIESA-N
XLogP-0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide (CID 103655672) is (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide is C=CCNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is WGPQSPSQJHFADT-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-5-9-8(12)6-3-4-7(11)10-6/h2,6H,1,3-5H2,(H,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide?
(2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103655672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).