(Z)-4-imino-3-methylbut-2-enamide

C5H8N2O — CID 88863732

IUPAC(Z)-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C/C(C)=C\C(N)=O
InChIInChI=1S/C5H8N2O/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H2,7,8)/b4-2-,6-3+
InChIKeyGZDMMCGBRNZWBC-MDNDHVJUSA-N
MW112.13 g/mol
LogP0.07
Rot. Bonds2

About (Z)-4-imino-3-methylbut-2-enamide

(Z)-4-imino-3-methylbut-2-enamide (PubChem CID 88863732) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (Z)-4-imino-3-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-3-methylbut-2-enamide
PubChem CID88863732
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(Z)-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C/C(C)=C\C(N)=O
InChIInChI=1S/C5H8N2O/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H2,7,8)/b4-2-,6-3+
InChIKeyGZDMMCGBRNZWBC-MDNDHVJUSA-N
XLogP0.07
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-methylbut-2-enamide?
The IUPAC name of (Z)-4-imino-3-methylbut-2-enamide (CID 88863732) is (Z)-4-imino-3-methylbut-2-enamide.
What is the SMILES notation for (Z)-4-imino-3-methylbut-2-enamide?
The canonical SMILES for (Z)-4-imino-3-methylbut-2-enamide is [H]/N=C/C(C)=C\C(N)=O.
What is the InChIKey of (Z)-4-imino-3-methylbut-2-enamide?
The InChIKey is GZDMMCGBRNZWBC-MDNDHVJUSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(3-6)2-5(7)8/h2-3,6H,1H3,(H2,7,8)/b4-2-,6-3+.
What are the key properties of (Z)-4-imino-3-methylbut-2-enamide?
(Z)-4-imino-3-methylbut-2-enamide has a molecular weight of 112.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-methylbut-2-enamide is sourced from PubChem (CID 88863732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).