4-amino-2-ethyliminopent-3-enamide

C7H13N3O — CID 145380521

IUPAC4-amino-2-ethyliminopent-3-enamide
SMILESCC/N=C(\C=C(C)N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-3-10-6(7(9)11)4-5(2)8/h4H,3,8H2,1-2H3,(H2,9,11)/b5-4?,10-6+
InChIKeyRDQYJRZFYBVDDX-PFQJZCSNSA-N
MW155.20 g/mol
LogP-0.20
Rot. Bonds3

About 4-amino-2-ethyliminopent-3-enamide

4-amino-2-ethyliminopent-3-enamide (PubChem CID 145380521) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-amino-2-ethyliminopent-3-enamide.

Molecular Properties

Compound Name4-amino-2-ethyliminopent-3-enamide
PubChem CID145380521
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-amino-2-ethyliminopent-3-enamide
SMILESCC/N=C(\C=C(C)N)C(N)=O
InChIInChI=1S/C7H13N3O/c1-3-10-6(7(9)11)4-5(2)8/h4H,3,8H2,1-2H3,(H2,9,11)/b5-4?,10-6+
InChIKeyRDQYJRZFYBVDDX-PFQJZCSNSA-N
XLogP-0.20
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.20
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 4-amino-2-ethyliminopent-3-enamide?
The IUPAC name of 4-amino-2-ethyliminopent-3-enamide (CID 145380521) is 4-amino-2-ethyliminopent-3-enamide.
What is the SMILES notation for 4-amino-2-ethyliminopent-3-enamide?
The canonical SMILES for 4-amino-2-ethyliminopent-3-enamide is CC/N=C(\C=C(C)N)C(N)=O.
What is the InChIKey of 4-amino-2-ethyliminopent-3-enamide?
The InChIKey is RDQYJRZFYBVDDX-PFQJZCSNSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-10-6(7(9)11)4-5(2)8/h4H,3,8H2,1-2H3,(H2,9,11)/b5-4?,10-6+.
What are the key properties of 4-amino-2-ethyliminopent-3-enamide?
4-amino-2-ethyliminopent-3-enamide has a molecular weight of 155.20 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyliminopent-3-enamide is sourced from PubChem (CID 145380521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).