N-cyanoacetamide;ethyl carbamate

C6H11N3O3 — CID 174761407

IUPACN-cyanoacetamide;ethyl carbamate
SMILESCC(=O)NC#N.CCOC(N)=O
InChIInChI=1S/C3H4N2O.C3H7NO2/c1-3(6)5-2-4;1-2-6-3(4)5/h1H3,(H,5,6);2H2,1H3,(H2,4,5)
InChIKeyVIMBCHMYWIVPSB-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.29
Rot. Bonds1

About N-cyanoacetamide;ethyl carbamate

N-cyanoacetamide;ethyl carbamate (PubChem CID 174761407) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is N-cyanoacetamide;ethyl carbamate.

Molecular Properties

Compound NameN-cyanoacetamide;ethyl carbamate
PubChem CID174761407
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC NameN-cyanoacetamide;ethyl carbamate
SMILESCC(=O)NC#N.CCOC(N)=O
InChIInChI=1S/C3H4N2O.C3H7NO2/c1-3(6)5-2-4;1-2-6-3(4)5/h1H3,(H,5,6);2H2,1H3,(H2,4,5)
InChIKeyVIMBCHMYWIVPSB-UHFFFAOYSA-N
XLogP-0.29
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyanoacetamide;ethyl carbamate?
The IUPAC name of N-cyanoacetamide;ethyl carbamate (CID 174761407) is N-cyanoacetamide;ethyl carbamate.
What is the SMILES notation for N-cyanoacetamide;ethyl carbamate?
The canonical SMILES for N-cyanoacetamide;ethyl carbamate is CC(=O)NC#N.CCOC(N)=O.
What is the InChIKey of N-cyanoacetamide;ethyl carbamate?
The InChIKey is VIMBCHMYWIVPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H7NO2/c1-3(6)5-2-4;1-2-6-3(4)5/h1H3,(H,5,6);2H2,1H3,(H2,4,5).
What are the key properties of N-cyanoacetamide;ethyl carbamate?
N-cyanoacetamide;ethyl carbamate has a molecular weight of 173.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanoacetamide;ethyl carbamate is sourced from PubChem (CID 174761407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).