N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide

C6H9N3O2 — CID 89278618

IUPACN-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)NCC(N)=O
InChIInChI=1S/C6H9N3O2/c1-4(2-7)6(11)9-3-5(8)10/h2,7H,1,3H2,(H2,8,10)(H,9,11)/b7-2+
InChIKeyOIHJOPXGLSYFOS-FARCUNLSSA-N
MW155.16 g/mol
LogP-1.21
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide

N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide (PubChem CID 89278618) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide
PubChem CID89278618
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)NCC(N)=O
InChIInChI=1S/C6H9N3O2/c1-4(2-7)6(11)9-3-5(8)10/h2,7H,1,3H2,(H2,8,10)(H,9,11)/b7-2+
InChIKeyOIHJOPXGLSYFOS-FARCUNLSSA-N
XLogP-1.21
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide (CID 89278618) is N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide is [H]/N=C/C(=C)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide?
The InChIKey is OIHJOPXGLSYFOS-FARCUNLSSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(2-7)6(11)9-3-5(8)10/h2,7H,1,3H2,(H2,8,10)(H,9,11)/b7-2+.
What are the key properties of N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide?
N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide has a molecular weight of 155.16 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-methanimidoylprop-2-enamide is sourced from PubChem (CID 89278618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).