(Z)-4-amino-2-ethyliminobut-3-enamide

C6H11N3O — CID 169160518

IUPAC(Z)-4-amino-2-ethyliminobut-3-enamide
SMILESCC/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3-,9-5-
InChIKeyHZTVIPXRPVXXRI-YSXYLNKBSA-N
MW141.17 g/mol
LogP-0.60
Rot. Bonds3

About (Z)-4-amino-2-ethyliminobut-3-enamide

(Z)-4-amino-2-ethyliminobut-3-enamide (PubChem CID 169160518) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (Z)-4-amino-2-ethyliminobut-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-2-ethyliminobut-3-enamide
PubChem CID169160518
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(Z)-4-amino-2-ethyliminobut-3-enamide
SMILESCC/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3-,9-5-
InChIKeyHZTVIPXRPVXXRI-YSXYLNKBSA-N
XLogP-0.60
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.60
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 (Z)-4-amino-2-ethyliminobut-3-enamide?
The IUPAC name of (Z)-4-amino-2-ethyliminobut-3-enamide (CID 169160518) is (Z)-4-amino-2-ethyliminobut-3-enamide.
What is the SMILES notation for (Z)-4-amino-2-ethyliminobut-3-enamide?
The canonical SMILES for (Z)-4-amino-2-ethyliminobut-3-enamide is CC/N=C(/C=C\N)C(N)=O.
What is the InChIKey of (Z)-4-amino-2-ethyliminobut-3-enamide?
The InChIKey is HZTVIPXRPVXXRI-YSXYLNKBSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-9-5(3-4-7)6(8)10/h3-4H,2,7H2,1H3,(H2,8,10)/b4-3-,9-5-.
What are the key properties of (Z)-4-amino-2-ethyliminobut-3-enamide?
(Z)-4-amino-2-ethyliminobut-3-enamide has a molecular weight of 141.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-ethyliminobut-3-enamide is sourced from PubChem (CID 169160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).