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

C18H19N2O4- — CID 88611873

IUPAC1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1-c1cccc(N([O-])O)c1
InChIInChI=1S/C18H19N2O4/c1-24-17-8-7-13(12-19-9-3-6-18(19)21)10-16(17)14-4-2-5-15(11-14)20(22)23/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3/q-1
InChIKeyOYWXAASNZAKORQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.18
Rot. Bonds5

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

1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one (PubChem CID 88611873) has the molecular formula C18H19N2O4- and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
PubChem CID88611873
Molecular FormulaC18H19N2O4-
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CCCC2=O)cc1-c1cccc(N([O-])O)c1
InChIInChI=1S/C18H19N2O4/c1-24-17-8-7-13(12-19-9-3-6-18(19)21)10-16(17)14-4-2-5-15(11-14)20(22)23/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3/q-1
InChIKeyOYWXAASNZAKORQ-UHFFFAOYSA-N
XLogP3.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one (CID 88611873) is 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one is COc1ccc(CN2CCCC2=O)cc1-c1cccc(N([O-])O)c1.
What is the InChIKey of 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
The InChIKey is OYWXAASNZAKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O4/c1-24-17-8-7-13(12-19-9-3-6-18(19)21)10-16(17)14-4-2-5-15(11-14)20(22)23/h2,4-5,7-8,10-11,22H,3,6,9,12H2,1H3/q-1.
What are the key properties of 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one?
1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 88611873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).