(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide

C8H12N2O2 — CID 10241186

IUPAC(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-5-3-4-6(10)8(9)12/h2,6H,1,3-5H2,(H2,9,12)/t6-/m0/s1
InChIKeyJHWOKCJZMOYRCF-LURJTMIESA-N
MW168.20 g/mol
LogP-0.35
Rot. Bonds2

About (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide

(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 10241186) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID10241186
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-5-3-4-6(10)8(9)12/h2,6H,1,3-5H2,(H2,9,12)/t6-/m0/s1
InChIKeyJHWOKCJZMOYRCF-LURJTMIESA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 10241186) is (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is JHWOKCJZMOYRCF-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)10-5-3-4-6(10)8(9)12/h2,6H,1,3-5H2,(H2,9,12)/t6-/m0/s1.
What are the key properties of (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide?
(2S)-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10241186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).