[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium

C9H10NO3+ — CID 163560789

IUPAC[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium
SMILES[H]/[O+]=C/c1cccc(OCC(N)=O)c1
InChIInChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-2-7(4-8)5-11/h1-5H,6H2,(H2,10,12)/p+1
InChIKeyFRBBODVJAIQVJL-UHFFFAOYSA-O
MW180.18 g/mol
LogP0.07
Rot. Bonds4

About [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium

[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium (PubChem CID 163560789) has the molecular formula C9H10NO3+ and a molecular weight of 180.18 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium
PubChem CID163560789
Molecular FormulaC9H10NO3+
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium
SMILES[H]/[O+]=C/c1cccc(OCC(N)=O)c1
InChIInChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-2-7(4-8)5-11/h1-5H,6H2,(H2,10,12)/p+1
InChIKeyFRBBODVJAIQVJL-UHFFFAOYSA-O
XLogP0.07
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 44608840
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[3-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide
CID 126232058
potassium;hydride;2-phenoxyacetamide
CID 175513799
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propyloxamide
CID 8990323
2-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]acetamide
CID 135555991
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
CID 8990324
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8990322
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
methyl thiohypochlorite;2-phenoxyacetamide
CID 143004120

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium?
The IUPAC name of [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium (CID 163560789) is [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium.
What is the SMILES notation for [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium?
The canonical SMILES for [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium is [H]/[O+]=C/c1cccc(OCC(N)=O)c1.
What is the InChIKey of [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium?
The InChIKey is FRBBODVJAIQVJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-2-7(4-8)5-11/h1-5H,6H2,(H2,10,12)/p+1.
What are the key properties of [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium?
[3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium has a molecular weight of 180.18 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethoxy)phenyl]methylideneoxidanium is sourced from PubChem (CID 163560789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).