(E)-2-ethanimidoyl-4-methylhex-2-enamide

C9H16N2O — CID 123890824

IUPAC(E)-2-ethanimidoyl-4-methylhex-2-enamide
SMILES[H]/N=C(C)/C(=C\C(C)CC)C(N)=O
InChIInChI=1S/C9H16N2O/c1-4-6(2)5-8(7(3)10)9(11)12/h5-6,10H,4H2,1-3H3,(H2,11,12)/b8-5+,10-7+
InChIKeyLCQFXDOFQIPIPE-FQOLVZPASA-N
MW168.24 g/mol
LogP1.48
Rot. Bonds4

About (E)-2-ethanimidoyl-4-methylhex-2-enamide

(E)-2-ethanimidoyl-4-methylhex-2-enamide (PubChem CID 123890824) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-2-ethanimidoyl-4-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-2-ethanimidoyl-4-methylhex-2-enamide
PubChem CID123890824
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-2-ethanimidoyl-4-methylhex-2-enamide
SMILES[H]/N=C(C)/C(=C\C(C)CC)C(N)=O
InChIInChI=1S/C9H16N2O/c1-4-6(2)5-8(7(3)10)9(11)12/h5-6,10H,4H2,1-3H3,(H2,11,12)/b8-5+,10-7+
InChIKeyLCQFXDOFQIPIPE-FQOLVZPASA-N
XLogP1.48
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.48
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)-2-ethanimidoyl-4-methylhex-2-enamide?
The IUPAC name of (E)-2-ethanimidoyl-4-methylhex-2-enamide (CID 123890824) is (E)-2-ethanimidoyl-4-methylhex-2-enamide.
What is the SMILES notation for (E)-2-ethanimidoyl-4-methylhex-2-enamide?
The canonical SMILES for (E)-2-ethanimidoyl-4-methylhex-2-enamide is [H]/N=C(C)/C(=C\C(C)CC)C(N)=O.
What is the InChIKey of (E)-2-ethanimidoyl-4-methylhex-2-enamide?
The InChIKey is LCQFXDOFQIPIPE-FQOLVZPASA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6(2)5-8(7(3)10)9(11)12/h5-6,10H,4H2,1-3H3,(H2,11,12)/b8-5+,10-7+.
What are the key properties of (E)-2-ethanimidoyl-4-methylhex-2-enamide?
(E)-2-ethanimidoyl-4-methylhex-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethanimidoyl-4-methylhex-2-enamide is sourced from PubChem (CID 123890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).