(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide

C10H15NO — CID 144618741

IUPAC(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
SMILESC=C/C(C)=C(\C=C)C(=O)NCC
InChIInChI=1S/C10H15NO/c1-5-8(4)9(6-2)10(12)11-7-3/h5-6H,1-2,7H2,3-4H3,(H,11,12)/b9-8+
InChIKeyCIRGSKBVLCBTEL-CMDGGOBGSA-N
MW165.24 g/mol
LogP1.81
Rot. Bonds4

About (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide

(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide (PubChem CID 144618741) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
PubChem CID144618741
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide
SMILESC=C/C(C)=C(\C=C)C(=O)NCC
InChIInChI=1S/C10H15NO/c1-5-8(4)9(6-2)10(12)11-7-3/h5-6H,1-2,7H2,3-4H3,(H,11,12)/b9-8+
InChIKeyCIRGSKBVLCBTEL-CMDGGOBGSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-ethyl-2-fluoroprop-2-enamide
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N-ethyl-4-oxohex-5-enamide
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N-ethyl-2,3,3-trihydroxyprop-2-enamide
CID 161274596
2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
N-ethylacetamide;hydrochloride
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CID 88764909
CID 88764909
N-methylethanamine;prop-2-enoic acid
CID 87363958
(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide (CID 144618741) is (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide is C=C/C(C)=C(\C=C)C(=O)NCC.
What is the InChIKey of (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide?
The InChIKey is CIRGSKBVLCBTEL-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-8(4)9(6-2)10(12)11-7-3/h5-6H,1-2,7H2,3-4H3,(H,11,12)/b9-8+.
What are the key properties of (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide?
(2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-ethyl-3-methylpenta-2,4-dienamide is sourced from PubChem (CID 144618741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).