N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide

C6H11N3O — CID 169144759

IUPACN-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide
SMILESC/N=C/C(=C\N)NC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)9-6(3-7)4-8-2/h3-4H,7H2,1-2H3,(H,9,10)/b6-3+,8-4+
InChIKeyKEDNXMAIWZSOOZ-PHQNLGIASA-N
MW141.17 g/mol
LogP-0.38
Rot. Bonds2

About N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide

N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide (PubChem CID 169144759) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide
PubChem CID169144759
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide
SMILESC/N=C/C(=C\N)NC(C)=O
InChIInChI=1S/C6H11N3O/c1-5(10)9-6(3-7)4-8-2/h3-4H,7H2,1-2H3,(H,9,10)/b6-3+,8-4+
InChIKeyKEDNXMAIWZSOOZ-PHQNLGIASA-N
XLogP-0.38
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide (CID 169144759) is N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide is C/N=C/C(=C\N)NC(C)=O.
What is the InChIKey of N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide?
The InChIKey is KEDNXMAIWZSOOZ-PHQNLGIASA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)9-6(3-7)4-8-2/h3-4H,7H2,1-2H3,(H,9,10)/b6-3+,8-4+.
What are the key properties of N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide?
N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]acetamide is sourced from PubChem (CID 169144759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).