N-ethyl-2-methanimidoyl-3-methylbut-2-enamide

C8H14N2O — CID 89393508

IUPACN-ethyl-2-methanimidoyl-3-methylbut-2-enamide
SMILES[H]/N=C/C(C(=O)NCC)=C(C)C
InChIInChI=1S/C8H14N2O/c1-4-10-8(11)7(5-9)6(2)3/h5,9H,4H2,1-3H3,(H,10,11)/b9-5+
InChIKeyYDBGKAWDIJWHAB-WEVVVXLNSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds3

About N-ethyl-2-methanimidoyl-3-methylbut-2-enamide

N-ethyl-2-methanimidoyl-3-methylbut-2-enamide (PubChem CID 89393508) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-ethyl-2-methanimidoyl-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methanimidoyl-3-methylbut-2-enamide
PubChem CID89393508
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-ethyl-2-methanimidoyl-3-methylbut-2-enamide
SMILES[H]/N=C/C(C(=O)NCC)=C(C)C
InChIInChI=1S/C8H14N2O/c1-4-10-8(11)7(5-9)6(2)3/h5,9H,4H2,1-3H3,(H,10,11)/b9-5+
InChIKeyYDBGKAWDIJWHAB-WEVVVXLNSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.11
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 N-ethyl-2-methanimidoyl-3-methylbut-2-enamide?
The IUPAC name of N-ethyl-2-methanimidoyl-3-methylbut-2-enamide (CID 89393508) is N-ethyl-2-methanimidoyl-3-methylbut-2-enamide.
What is the SMILES notation for N-ethyl-2-methanimidoyl-3-methylbut-2-enamide?
The canonical SMILES for N-ethyl-2-methanimidoyl-3-methylbut-2-enamide is [H]/N=C/C(C(=O)NCC)=C(C)C.
What is the InChIKey of N-ethyl-2-methanimidoyl-3-methylbut-2-enamide?
The InChIKey is YDBGKAWDIJWHAB-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-10-8(11)7(5-9)6(2)3/h5,9H,4H2,1-3H3,(H,10,11)/b9-5+.
What are the key properties of N-ethyl-2-methanimidoyl-3-methylbut-2-enamide?
N-ethyl-2-methanimidoyl-3-methylbut-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methanimidoyl-3-methylbut-2-enamide is sourced from PubChem (CID 89393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).