(E)-5-ethyl-2-methylhept-2-enamide

C10H19NO — CID 140867486

IUPAC(E)-5-ethyl-2-methylhept-2-enamide
SMILESCCC(CC)C/C=C(\C)C(N)=O
InChIInChI=1S/C10H19NO/c1-4-9(5-2)7-6-8(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H2,11,12)/b8-6+
InChIKeyZKVMUMSNJQPPJH-SOFGYWHQSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds5

About (E)-5-ethyl-2-methylhept-2-enamide

(E)-5-ethyl-2-methylhept-2-enamide (PubChem CID 140867486) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-5-ethyl-2-methylhept-2-enamide.

Molecular Properties

Compound Name(E)-5-ethyl-2-methylhept-2-enamide
PubChem CID140867486
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-5-ethyl-2-methylhept-2-enamide
SMILESCCC(CC)C/C=C(\C)C(N)=O
InChIInChI=1S/C10H19NO/c1-4-9(5-2)7-6-8(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H2,11,12)/b8-6+
InChIKeyZKVMUMSNJQPPJH-SOFGYWHQSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-2-methylhept-2-enamide?
The IUPAC name of (E)-5-ethyl-2-methylhept-2-enamide (CID 140867486) is (E)-5-ethyl-2-methylhept-2-enamide.
What is the SMILES notation for (E)-5-ethyl-2-methylhept-2-enamide?
The canonical SMILES for (E)-5-ethyl-2-methylhept-2-enamide is CCC(CC)C/C=C(\C)C(N)=O.
What is the InChIKey of (E)-5-ethyl-2-methylhept-2-enamide?
The InChIKey is ZKVMUMSNJQPPJH-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(5-2)7-6-8(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H2,11,12)/b8-6+.
What are the key properties of (E)-5-ethyl-2-methylhept-2-enamide?
(E)-5-ethyl-2-methylhept-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-2-methylhept-2-enamide is sourced from PubChem (CID 140867486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).