(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C15H18N2O2 — CID 2266184

IUPAC(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C15H18N2O2/c1-3-8-16-15(19)12-9-14(18)17(10-12)13-6-4-11(2)5-7-13/h3-7,12H,1,8-10H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyRIEWQHNJYONKNT-GFCCVEGCSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds4

About (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 2266184) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID2266184
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C15H18N2O2/c1-3-8-16-15(19)12-9-14(18)17(10-12)13-6-4-11(2)5-7-13/h3-7,12H,1,8-10H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyRIEWQHNJYONKNT-GFCCVEGCSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]-N-prop-2-enylpyrrolidine-3-carboxamide
CID 6486854
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086803
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 2266184) is (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is RIEWQHNJYONKNT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-8-16-15(19)12-9-14(18)17(10-12)13-6-4-11(2)5-7-13/h3-7,12H,1,8-10H2,2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
(3R)-1-(4-methylphenyl)-5-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-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2266184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).