2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one

C8H12N4O3 — CID 173459928

IUPAC2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one
SMILESCON=C(C#N)C(N)=O.O=C1CCCN1
InChIInChI=1S/C4H5N3O2.C4H7NO/c1-9-7-3(2-5)4(6)8;6-4-2-1-3-5-4/h1H3,(H2,6,8);1-3H2,(H,5,6)
InChIKeyVWDWMVDAPRJQTI-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.11
Rot. Bonds2

About 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one

2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one (PubChem CID 173459928) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one.

Molecular Properties

Compound Name2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one
PubChem CID173459928
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one
SMILESCON=C(C#N)C(N)=O.O=C1CCCN1
InChIInChI=1S/C4H5N3O2.C4H7NO/c1-9-7-3(2-5)4(6)8;6-4-2-1-3-5-4/h1H3,(H2,6,8);1-3H2,(H,5,6)
InChIKeyVWDWMVDAPRJQTI-UHFFFAOYSA-N
XLogP-1.11
TPSA117.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one?
The IUPAC name of 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one (CID 173459928) is 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one.
What is the SMILES notation for 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one?
The canonical SMILES for 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one is CON=C(C#N)C(N)=O.O=C1CCCN1.
What is the InChIKey of 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one?
The InChIKey is VWDWMVDAPRJQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C4H7NO/c1-9-7-3(2-5)4(6)8;6-4-2-1-3-5-4/h1H3,(H2,6,8);1-3H2,(H,5,6).
What are the key properties of 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one?
2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one has a molecular weight of 212.21 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methoxy-2-oxoethanimidoyl cyanide;pyrrolidin-2-one is sourced from PubChem (CID 173459928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).