N-carbamoyl-2-cyano-2-methoxyacetamide

C5H7N3O3 — CID 154297924

IUPACN-carbamoyl-2-cyano-2-methoxyacetamide
SMILESCOC(C#N)C(=O)NC(N)=O
InChIInChI=1S/C5H7N3O3/c1-11-3(2-6)4(9)8-5(7)10/h3H,1H3,(H3,7,8,9,10)
InChIKeyDCVHDRRDXGNVOU-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.28
Rot. Bonds2

About N-carbamoyl-2-cyano-2-methoxyacetamide

N-carbamoyl-2-cyano-2-methoxyacetamide (PubChem CID 154297924) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is N-carbamoyl-2-cyano-2-methoxyacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-cyano-2-methoxyacetamide
PubChem CID154297924
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC NameN-carbamoyl-2-cyano-2-methoxyacetamide
SMILESCOC(C#N)C(=O)NC(N)=O
InChIInChI=1S/C5H7N3O3/c1-11-3(2-6)4(9)8-5(7)10/h3H,1H3,(H3,7,8,9,10)
InChIKeyDCVHDRRDXGNVOU-UHFFFAOYSA-N
XLogP-1.28
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-cyano-2-methoxyacetamide?
The IUPAC name of N-carbamoyl-2-cyano-2-methoxyacetamide (CID 154297924) is N-carbamoyl-2-cyano-2-methoxyacetamide.
What is the SMILES notation for N-carbamoyl-2-cyano-2-methoxyacetamide?
The canonical SMILES for N-carbamoyl-2-cyano-2-methoxyacetamide is COC(C#N)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-cyano-2-methoxyacetamide?
The InChIKey is DCVHDRRDXGNVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-11-3(2-6)4(9)8-5(7)10/h3H,1H3,(H3,7,8,9,10).
What are the key properties of N-carbamoyl-2-cyano-2-methoxyacetamide?
N-carbamoyl-2-cyano-2-methoxyacetamide has a molecular weight of 157.13 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-cyano-2-methoxyacetamide is sourced from PubChem (CID 154297924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).