(E)-2-ethylhex-2-enamide

C8H15NO — CID 87982228

IUPAC(E)-2-ethylhex-2-enamide
SMILESCCC/C=C(\CC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)/b7-6+
InChIKeyQJGPWXUNWQAALY-VOTSOKGWSA-N
MW141.21 g/mol
LogP1.61
Rot. Bonds4

About (E)-2-ethylhex-2-enamide

(E)-2-ethylhex-2-enamide (PubChem CID 87982228) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-2-ethylhex-2-enamide.

Molecular Properties

Compound Name(E)-2-ethylhex-2-enamide
PubChem CID87982228
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-2-ethylhex-2-enamide
SMILESCCC/C=C(\CC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)/b7-6+
InChIKeyQJGPWXUNWQAALY-VOTSOKGWSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.61
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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Related Compounds

[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
(Z)-2-aminohex-2-enamide
CID 55284106
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
2-butylidenetridec-4-enamide
CID 175316783
2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
(2E)-2-(fluoromethylidene)butanamide
CID 90023210
6-ethyldec-6-ene-2,5-dione
CID 57181280
2-dodecylpentadec-2-enamide
CID 173002797
2-hexylidenehexanediamide
CID 140969893
6-ethyl-4-fluorodeca-3,6-dien-5-one
CID 139816653

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylhex-2-enamide?
The IUPAC name of (E)-2-ethylhex-2-enamide (CID 87982228) is (E)-2-ethylhex-2-enamide.
What is the SMILES notation for (E)-2-ethylhex-2-enamide?
The canonical SMILES for (E)-2-ethylhex-2-enamide is CCC/C=C(\CC)C(N)=O.
What is the InChIKey of (E)-2-ethylhex-2-enamide?
The InChIKey is QJGPWXUNWQAALY-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H2,9,10)/b7-6+.
What are the key properties of (E)-2-ethylhex-2-enamide?
(E)-2-ethylhex-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylhex-2-enamide is sourced from PubChem (CID 87982228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).