(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide

C8H12N2O2 — CID 11819417

IUPAC(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CC[C@@]1(C(N)=O)CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-2-4-8(7(9)12)5-3-6(11)10-8/h2H,1,3-5H2,(H2,9,12)(H,10,11)/t8-/m0/s1
InChIKeyXNAHTMHVQQCWNC-QMMMGPOBSA-N
MW168.20 g/mol
LogP-0.30
Rot. Bonds3

About (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide

(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 11819417) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID11819417
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CC[C@@]1(C(N)=O)CCC(=O)N1
InChIInChI=1S/C8H12N2O2/c1-2-4-8(7(9)12)5-3-6(11)10-8/h2H,1,3-5H2,(H2,9,12)(H,10,11)/t8-/m0/s1
InChIKeyXNAHTMHVQQCWNC-QMMMGPOBSA-N
XLogP-0.30
TPSA72.19 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 ≤ 5-0.30
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 (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide (CID 11819417) is (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide is C=CC[C@@]1(C(N)=O)CCC(=O)N1.
What is the InChIKey of (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is XNAHTMHVQQCWNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-4-8(7(9)12)5-3-6(11)10-8/h2H,1,3-5H2,(H2,9,12)(H,10,11)/t8-/m0/s1.
What are the key properties of (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide?
(2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-2-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11819417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).