5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one

C19H21N2O5- — CID 58019898

IUPAC5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2CO)cc1-c1cccc(N([O-])O)c1
InChIInChI=1S/C19H21N2O5/c1-26-18-7-5-13(11-20-16(12-22)6-8-19(20)23)9-17(18)14-3-2-4-15(10-14)21(24)25/h2-5,7,9-10,16,22,24H,6,8,11-12H2,1H3/q-1
InChIKeyLSDXBLIVLGAYLF-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.54
Rot. Bonds6

About 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one

5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one (PubChem CID 58019898) has the molecular formula C19H21N2O5- and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
PubChem CID58019898
Molecular FormulaC19H21N2O5-
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2CO)cc1-c1cccc(N([O-])O)c1
InChIInChI=1S/C19H21N2O5/c1-26-18-7-5-13(11-20-16(12-22)6-8-19(20)23)9-17(18)14-3-2-4-15(10-14)21(24)25/h2-5,7,9-10,16,22,24H,6,8,11-12H2,1H3/q-1
InChIKeyLSDXBLIVLGAYLF-UHFFFAOYSA-N
XLogP2.54
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 88611873
[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
CID 91315715
(5S)-5-(azidomethyl)-1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-one
CID 58020029
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 90304976
N-[3-(2-methoxyphenyl)phenyl]-N-oxidohydroxylamine
CID 143810064
1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
CID 89122415
[1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 68790620
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 90305017
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
(5S)-1-[(4-chlorophenyl)methyl]-5-[[3-(dimethylamino)-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 159217640
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
CID 118757532

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one (CID 58019898) is 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one is COc1ccc(CN2C(=O)CCC2CO)cc1-c1cccc(N([O-])O)c1.
What is the InChIKey of 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The InChIKey is LSDXBLIVLGAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O5/c1-26-18-7-5-13(11-20-16(12-22)6-8-19(20)23)9-17(18)14-3-2-4-15(10-14)21(24)25/h2-5,7,9-10,16,22,24H,6,8,11-12H2,1H3/q-1.
What are the key properties of 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one has a molecular weight of 357.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 58019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).