methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium

C14H17N2O3+ — CID 171580708

IUPACmethyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium
SMILESC=[N+](C)Cc1ccccc1OC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H17N2O3/c1-15(2)9-10-6-4-5-7-11(10)19-12-8-13(17)16(3)14(12)18/h4-7,12H,1,8-9H2,2-3H3/q+1
InChIKeyGTDUDHWKNRZSGR-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.67
Rot. Bonds4

About methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium

methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium (PubChem CID 171580708) has the molecular formula C14H17N2O3+ and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium.

Molecular Properties

Compound Namemethyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium
PubChem CID171580708
Molecular FormulaC14H17N2O3+
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Namemethyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium
SMILESC=[N+](C)Cc1ccccc1OC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H17N2O3/c1-15(2)9-10-6-4-5-7-11(10)19-12-8-13(17)16(3)14(12)18/h4-7,12H,1,8-9H2,2-3H3/q+1
InChIKeyGTDUDHWKNRZSGR-UHFFFAOYSA-N
XLogP0.67
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
CID 175507545
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
CID 13362254
1-methyl-3-phenacylpyrrolidine-2,5-dione
CID 71420234
2-ethyl-3-(2-ethylphenoxy)-2-methylcyclobutan-1-one
CID 66368471
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-methyl-3-naphthalen-1-yloxypyrrolidin-2-one
CID 64763861
1-methyl-3-[(E)-quinolin-2-ylmethylideneamino]oxypyrrolidine-2,5-dione
CID 15318338
(1-methyl-2,5-dioxopyrrolidin-3-yl)mercury
CID 142151473
(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
3-cyclopropyloxy-1-methyl-3,4-dihydroquinolin-2-one
CID 141043547

Frequently Asked Questions

What is the IUPAC name of methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium?
The IUPAC name of methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium (CID 171580708) is methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium.
What is the SMILES notation for methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium?
The canonical SMILES for methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium is C=[N+](C)Cc1ccccc1OC1CC(=O)N(C)C1=O.
What is the InChIKey of methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium?
The InChIKey is GTDUDHWKNRZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O3/c1-15(2)9-10-6-4-5-7-11(10)19-12-8-13(17)16(3)14(12)18/h4-7,12H,1,8-9H2,2-3H3/q+1.
What are the key properties of methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium?
methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium has a molecular weight of 261.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[2-(1-methyl-2,5-dioxopyrrolidin-3-yl)oxyphenyl]methyl]-methylideneazanium is sourced from PubChem (CID 171580708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).