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

C5H9N3O — CID 171558119

IUPAC(Z)-4-amino-2-methyliminobut-3-enamide
SMILESC/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C5H9N3O/c1-8-4(2-3-6)5(7)9/h2-3H,6H2,1H3,(H2,7,9)/b3-2-,8-4-
InChIKeyQDGJZIHVPFTURG-BGRWSDHPSA-N
MW127.15 g/mol
LogP-0.99
Rot. Bonds2

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

(Z)-4-amino-2-methyliminobut-3-enamide (PubChem CID 171558119) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (Z)-4-amino-2-methyliminobut-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-2-methyliminobut-3-enamide
PubChem CID171558119
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(Z)-4-amino-2-methyliminobut-3-enamide
SMILESC/N=C(/C=C\N)C(N)=O
InChIInChI=1S/C5H9N3O/c1-8-4(2-3-6)5(7)9/h2-3H,6H2,1H3,(H2,7,9)/b3-2-,8-4-
InChIKeyQDGJZIHVPFTURG-BGRWSDHPSA-N
XLogP-0.99
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.99
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-methyliminobut-3-enamide?
The IUPAC name of (Z)-4-amino-2-methyliminobut-3-enamide (CID 171558119) is (Z)-4-amino-2-methyliminobut-3-enamide.
What is the SMILES notation for (Z)-4-amino-2-methyliminobut-3-enamide?
The canonical SMILES for (Z)-4-amino-2-methyliminobut-3-enamide is C/N=C(/C=C\N)C(N)=O.
What is the InChIKey of (Z)-4-amino-2-methyliminobut-3-enamide?
The InChIKey is QDGJZIHVPFTURG-BGRWSDHPSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4(2-3-6)5(7)9/h2-3H,6H2,1H3,(H2,7,9)/b3-2-,8-4-.
What are the key properties of (Z)-4-amino-2-methyliminobut-3-enamide?
(Z)-4-amino-2-methyliminobut-3-enamide has a molecular weight of 127.15 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-methyliminobut-3-enamide is sourced from PubChem (CID 171558119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).