(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C11H17NO — CID 129043675

IUPAC(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)N(C)CC
InChIInChI=1S/C11H17NO/c1-5-8-10(9-6-2)11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+
InChIKeyCNOMJEJZTDGJOV-NULKZJHKSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds4

About (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 129043675) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID129043675
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)N(C)CC
InChIInChI=1S/C11H17NO/c1-5-8-10(9-6-2)11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+
InChIKeyCNOMJEJZTDGJOV-NULKZJHKSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

N-ethyl-N-[3-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]amino]propyl]benzamide
CID 143859696
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
ethane;ethyl (4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienoate
CID 143439459
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
ethane;(4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienenitrile
CID 168948785
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 129043675) is (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)N(C)CC.
What is the InChIKey of (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is CNOMJEJZTDGJOV-NULKZJHKSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-8-10(9-6-2)11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+.
What are the key properties of (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 129043675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).