dimethylamino formate;zinc

C3H7NO2Zn — CID 174400064

IUPACdimethylamino formate;zinc
SMILESCN(C)OC=O.[Zn]
InChIInChI=1S/C3H7NO2.Zn/c1-4(2)6-3-5;/h3H,1-2H3;
InChIKeyJBBPITZJOJFMID-UHFFFAOYSA-N
MW154.48 g/mol
LogP-0.37
Rot. Bonds2

About dimethylamino formate;zinc

dimethylamino formate;zinc (PubChem CID 174400064) has the molecular formula C3H7NO2Zn and a molecular weight of 154.48 g/mol. Its IUPAC name is dimethylamino formate;zinc.

Molecular Properties

Compound Namedimethylamino formate;zinc
PubChem CID174400064
Molecular FormulaC3H7NO2Zn
Molecular Weight154.48 g/mol
Exact Mass152.98
IUPAC Namedimethylamino formate;zinc
SMILESCN(C)OC=O.[Zn]
InChIInChI=1S/C3H7NO2.Zn/c1-4(2)6-3-5;/h3H,1-2H3;
InChIKeyJBBPITZJOJFMID-UHFFFAOYSA-N
XLogP-0.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.48
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[methyl(propan-2-yl)amino] formate
CID 174589293
N,N-dimethylformamide;methylsulfanylmethane
CID 158808099
CID 159352431
CID 159352431
dimethylamino(formyl)tin
CID 174453096
dichloronickel;N,N-dimethylformamide
CID 174793143
hydron;methyl formate
CID 173190969
methane;methyl formate
CID 162150401
N,N-dimethylformamide;molecular chlorine
CID 86751989
chloro formate;zinc
CID 174416340
pentakis(N,N-dimethylformamide);ethane
CID 54023735
lithium;ethyl formate;hydroxide
CID 174914217
1-[dimethylamino(methyl)amino]ethyl formate
CID 54171702

Frequently Asked Questions

What is the IUPAC name of dimethylamino formate;zinc?
The IUPAC name of dimethylamino formate;zinc (CID 174400064) is dimethylamino formate;zinc.
What is the SMILES notation for dimethylamino formate;zinc?
The canonical SMILES for dimethylamino formate;zinc is CN(C)OC=O.[Zn].
What is the InChIKey of dimethylamino formate;zinc?
The InChIKey is JBBPITZJOJFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.Zn/c1-4(2)6-3-5;/h3H,1-2H3;.
What are the key properties of dimethylamino formate;zinc?
dimethylamino formate;zinc has a molecular weight of 154.48 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino formate;zinc is sourced from PubChem (CID 174400064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).