(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C15H18N2O2 — CID 93289013

IUPAC(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCN(c2cccc(C)c2)C1=O
InChIInChI=1S/C15H18N2O2/c1-3-8-16-14(18)13-7-9-17(15(13)19)12-6-4-5-11(2)10-12/h3-6,10,13H,1,7-9H2,2H3,(H,16,18)/t13-/m1/s1
InChIKeyWLOVHLNVFFZWLO-CYBMUJFWSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds4

About (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 93289013) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID93289013
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@H]1CCN(c2cccc(C)c2)C1=O
InChIInChI=1S/C15H18N2O2/c1-3-8-16-14(18)13-7-9-17(15(13)19)12-6-4-5-11(2)10-12/h3-6,10,13H,1,7-9H2,2H3,(H,16,18)/t13-/m1/s1
InChIKeyWLOVHLNVFFZWLO-CYBMUJFWSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 93289013) is (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)[C@H]1CCN(c2cccc(C)c2)C1=O.
What is the InChIKey of (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is WLOVHLNVFFZWLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-8-16-14(18)13-7-9-17(15(13)19)12-6-4-5-11(2)10-12/h3-6,10,13H,1,7-9H2,2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
(3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylphenyl)-2-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93289013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).