N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide

C6H11N3O — CID 144946520

IUPACN-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
SMILES[H]/N=C/C(=C\N)CNC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)9-4-6(2-7)3-8/h2-3,7H,4,8H2,1H3,(H,9,10)/b6-3+,7-2+
InChIKeyZCLPUNYSBVLQNV-LXYHSKMQSA-N
MW141.17 g/mol
LogP-0.39
Rot. Bonds3

About N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide

N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide (PubChem CID 144946520) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
PubChem CID144946520
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide
SMILES[H]/N=C/C(=C\N)CNC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)9-4-6(2-7)3-8/h2-3,7H,4,8H2,1H3,(H,9,10)/b6-3+,7-2+
InChIKeyZCLPUNYSBVLQNV-LXYHSKMQSA-N
XLogP-0.39
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iminopropyl)-2-methylprop-2-enamide
CID 54164226
N-[2-(methyliminomethyl)but-2-enyl]acetamide
CID 123446401
N-[(Z)-2-(ethenyliminomethyl)but-2-enyl]propanamide
CID 134406094
(E)-3-amino-2-methanimidoyl-N-methylprop-2-enamide
CID 144858471
N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
CID 145408462
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]propanamide
CID 147840228
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-N-methylpropanamide
CID 149404415
N-[(E)-3-amino-2-methylprop-2-enyl]acetamide
CID 173476151
N-[3-amino-2-(methyliminomethyl)prop-2-enyl]acetamide
CID 173681844
N-[3-(ethenyliminomethyl)but-3-enyl]acetamide
CID 142506759
N-[(Z)-3-(methylideneamino)-2-(methyliminomethyl)prop-2-enyl]acetamide
CID 144904331

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide (CID 144946520) is N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide is [H]/N=C/C(=C\N)CNC(C)=O.
What is the InChIKey of N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide?
The InChIKey is ZCLPUNYSBVLQNV-LXYHSKMQSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)9-4-6(2-7)3-8/h2-3,7H,4,8H2,1H3,(H,9,10)/b6-3+,7-2+.
What are the key properties of N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide?
N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-2-methanimidoylprop-2-enyl]acetamide is sourced from PubChem (CID 144946520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).