1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one

C19H18N2O6 — CID 8880766

IUPAC1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18N2O6/c1-26-15-8-9-18(16(11-15)21(24)25)27-12-17(22)13-4-6-14(7-5-13)20-10-2-3-19(20)23/h4-9,11H,2-3,10,12H2,1H3
InChIKeyVOWKIFQNOITTSN-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.99
Rot. Bonds7

About 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one (PubChem CID 8880766) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
PubChem CID8880766
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18N2O6/c1-26-15-8-9-18(16(11-15)21(24)25)27-12-17(22)13-4-6-14(7-5-13)20-10-2-3-19(20)23/h4-9,11H,2-3,10,12H2,1H3
InChIKeyVOWKIFQNOITTSN-UHFFFAOYSA-N
XLogP2.99
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8647905
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
N-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]benzamide
CID 8007533
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
1-(3-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 166609008
N-[3-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]propyl]acetamide
CID 7489071
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8950032
3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8880784
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8650975
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442450

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one (CID 8880766) is 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one is COc1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is VOWKIFQNOITTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-26-15-8-9-18(16(11-15)21(24)25)27-12-17(22)13-4-6-14(7-5-13)20-10-2-3-19(20)23/h4-9,11H,2-3,10,12H2,1H3.
What are the key properties of 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 370.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8880766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).