copper;(N-methylanilino) acetate

C9H11CuNO2 — CID 88782119

IUPACcopper;(N-methylanilino) acetate
SMILESCC(=O)ON(C)c1ccccc1.[Cu]
InChIInChI=1S/C9H11NO2.Cu/c1-8(11)12-10(2)9-6-4-3-5-7-9;/h3-7H,1-2H3;
InChIKeyKVVBNYQUMMQMBX-UHFFFAOYSA-N
MW228.74 g/mol
LogP1.60
Rot. Bonds2

About copper;(N-methylanilino) acetate

copper;(N-methylanilino) acetate (PubChem CID 88782119) has the molecular formula C9H11CuNO2 and a molecular weight of 228.74 g/mol. Its IUPAC name is copper;(N-methylanilino) acetate.

Molecular Properties

Compound Namecopper;(N-methylanilino) acetate
PubChem CID88782119
Molecular FormulaC9H11CuNO2
Molecular Weight228.74 g/mol
Exact Mass228.01
IUPAC Namecopper;(N-methylanilino) acetate
SMILESCC(=O)ON(C)c1ccccc1.[Cu]
InChIInChI=1S/C9H11NO2.Cu/c1-8(11)12-10(2)9-6-4-3-5-7-9;/h3-7H,1-2H3;
InChIKeyKVVBNYQUMMQMBX-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(N-methylanilino) carbamate
CID 175107700
(N-methylanilino) propanoate
CID 143653694
N-methyl-N-(1,2,2-trifluoroethenoxy)aniline
CID 87396734
(2S)-3-methyl-2-(N-methylanilino)oxycarbonylbutanoic acid
CID 54560806
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
(N-carbamimidoylanilino) acetate
CID 141487567
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
[acetyl(benzyl)amino] acetate
CID 131850460
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188

Frequently Asked Questions

What is the IUPAC name of copper;(N-methylanilino) acetate?
The IUPAC name of copper;(N-methylanilino) acetate (CID 88782119) is copper;(N-methylanilino) acetate.
What is the SMILES notation for copper;(N-methylanilino) acetate?
The canonical SMILES for copper;(N-methylanilino) acetate is CC(=O)ON(C)c1ccccc1.[Cu].
What is the InChIKey of copper;(N-methylanilino) acetate?
The InChIKey is KVVBNYQUMMQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.Cu/c1-8(11)12-10(2)9-6-4-3-5-7-9;/h3-7H,1-2H3;.
What are the key properties of copper;(N-methylanilino) acetate?
copper;(N-methylanilino) acetate has a molecular weight of 228.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(N-methylanilino) acetate is sourced from PubChem (CID 88782119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).