1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one

C15H19NO2 — CID 102168019

IUPAC1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-3-4-13-7-10-15(17)16(13)11-12-5-8-14(18-2)9-6-12/h3,5-6,8-9,13H,1,4,7,10-11H2,2H3
InChIKeyUVMTXGLPIPJJNJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.76
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one (PubChem CID 102168019) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
PubChem CID102168019
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1CCC(=O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-3-4-13-7-10-15(17)16(13)11-12-5-8-14(18-2)9-6-12/h3,5-6,8-9,13H,1,4,7,10-11H2,2H3
InChIKeyUVMTXGLPIPJJNJ-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methyl]-6-prop-2-enylpiperidin-2-one
CID 11234665
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811
(3aS,7aS)-1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460755
(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
CID 11286664
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
CID 118757532
1-(2-methylprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 121221572
ethyl (4aR,8aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4,4a,5,6,8a-hexahydroquinoline-7-carboxylate
CID 56954559
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one (CID 102168019) is 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one is C=CCC1CCC(=O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is UVMTXGLPIPJJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-13-7-10-15(17)16(13)11-12-5-8-14(18-2)9-6-12/h3,5-6,8-9,13H,1,4,7,10-11H2,2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 102168019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).