2-methanimidoyl-N-methylprop-2-enamide

C5H8N2O — CID 123223415

IUPAC2-methanimidoyl-N-methylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)NC
InChIInChI=1S/C5H8N2O/c1-4(3-6)5(8)7-2/h3,6H,1H2,2H3,(H,7,8)/b6-3+
InChIKeySMZNQZLKGKUWSN-ZZXKWVIFSA-N
MW112.13 g/mol
LogP-0.06
Rot. Bonds2

About 2-methanimidoyl-N-methylprop-2-enamide

2-methanimidoyl-N-methylprop-2-enamide (PubChem CID 123223415) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methanimidoyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-methanimidoyl-N-methylprop-2-enamide
PubChem CID123223415
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methanimidoyl-N-methylprop-2-enamide
SMILES[H]/N=C/C(=C)C(=O)NC
InChIInChI=1S/C5H8N2O/c1-4(3-6)5(8)7-2/h3,6H,1H2,2H3,(H,7,8)/b6-3+
InChIKeySMZNQZLKGKUWSN-ZZXKWVIFSA-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 2-methanimidoyl-N-methylprop-2-enamide?
The IUPAC name of 2-methanimidoyl-N-methylprop-2-enamide (CID 123223415) is 2-methanimidoyl-N-methylprop-2-enamide.
What is the SMILES notation for 2-methanimidoyl-N-methylprop-2-enamide?
The canonical SMILES for 2-methanimidoyl-N-methylprop-2-enamide is [H]/N=C/C(=C)C(=O)NC.
What is the InChIKey of 2-methanimidoyl-N-methylprop-2-enamide?
The InChIKey is SMZNQZLKGKUWSN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(3-6)5(8)7-2/h3,6H,1H2,2H3,(H,7,8)/b6-3+.
What are the key properties of 2-methanimidoyl-N-methylprop-2-enamide?
2-methanimidoyl-N-methylprop-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 2-methanimidoyl-N-methylprop-2-enamide is sourced from PubChem (CID 123223415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).