(E)-4-imino-N-methylbut-2-enamide

C5H8N2O — CID 90245493

IUPAC(E)-4-imino-N-methylbut-2-enamide
SMILES[H]/N=C/C=C/C(=O)NC
InChIInChI=1S/C5H8N2O/c1-7-5(8)3-2-4-6/h2-4,6H,1H3,(H,7,8)/b3-2+,6-4+
InChIKeyRYXKXKANXCFNKO-WJPDYIDTSA-N
MW112.13 g/mol
LogP-0.06
Rot. Bonds2

About (E)-4-imino-N-methylbut-2-enamide

(E)-4-imino-N-methylbut-2-enamide (PubChem CID 90245493) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (E)-4-imino-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-imino-N-methylbut-2-enamide
PubChem CID90245493
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(E)-4-imino-N-methylbut-2-enamide
SMILES[H]/N=C/C=C/C(=O)NC
InChIInChI=1S/C5H8N2O/c1-7-5(8)3-2-4-6/h2-4,6H,1H3,(H,7,8)/b3-2+,6-4+
InChIKeyRYXKXKANXCFNKO-WJPDYIDTSA-N
XLogP-0.06
TPSA52.95 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 ≤ 5-0.06
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 (E)-4-imino-N-methylbut-2-enamide?
The IUPAC name of (E)-4-imino-N-methylbut-2-enamide (CID 90245493) is (E)-4-imino-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-imino-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-imino-N-methylbut-2-enamide is [H]/N=C/C=C/C(=O)NC.
What is the InChIKey of (E)-4-imino-N-methylbut-2-enamide?
The InChIKey is RYXKXKANXCFNKO-WJPDYIDTSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-5(8)3-2-4-6/h2-4,6H,1H3,(H,7,8)/b3-2+,6-4+.
What are the key properties of (E)-4-imino-N-methylbut-2-enamide?
(E)-4-imino-N-methylbut-2-enamide has a molecular weight of 112.13 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-N-methylbut-2-enamide is sourced from PubChem (CID 90245493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).