2-ethenyl-N,N-diethylpenta-2,4-dienamide

C11H17NO — CID 91586528

IUPAC2-ethenyl-N,N-diethylpenta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)N(CC)CC
InChIInChI=1S/C11H17NO/c1-5-9-10(6-2)11(13)12(7-3)8-4/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyHPDKSSSFHSUHIP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds5

About 2-ethenyl-N,N-diethylpenta-2,4-dienamide

2-ethenyl-N,N-diethylpenta-2,4-dienamide (PubChem CID 91586528) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-ethenyl-N,N-diethylpenta-2,4-dienamide.

Molecular Properties

Compound Name2-ethenyl-N,N-diethylpenta-2,4-dienamide
PubChem CID91586528
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-ethenyl-N,N-diethylpenta-2,4-dienamide
SMILESC=CC=C(C=C)C(=O)N(CC)CC
InChIInChI=1S/C11H17NO/c1-5-9-10(6-2)11(13)12(7-3)8-4/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyHPDKSSSFHSUHIP-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
CID 145125978
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
(2E)-2-ethenylpenta-2,4-dienethioic S-acid
CID 142851404
(5E)-5-ethenylocta-1,5,7-trien-4-one
CID 90463748
(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
CID 143537034
pentyl (2E)-2-ethenylpenta-2,4-dienoate
CID 144992758
(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate
CID 142213114
N-ethyl-N-[3-[ethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]amino]propyl]benzamide
CID 143859696
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N,N-diethylbut-3-enamide
CID 12545744
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,N-diethylpenta-2,4-dienamide?
The IUPAC name of 2-ethenyl-N,N-diethylpenta-2,4-dienamide (CID 91586528) is 2-ethenyl-N,N-diethylpenta-2,4-dienamide.
What is the SMILES notation for 2-ethenyl-N,N-diethylpenta-2,4-dienamide?
The canonical SMILES for 2-ethenyl-N,N-diethylpenta-2,4-dienamide is C=CC=C(C=C)C(=O)N(CC)CC.
What is the InChIKey of 2-ethenyl-N,N-diethylpenta-2,4-dienamide?
The InChIKey is HPDKSSSFHSUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9-10(6-2)11(13)12(7-3)8-4/h5-6,9H,1-2,7-8H2,3-4H3.
What are the key properties of 2-ethenyl-N,N-diethylpenta-2,4-dienamide?
2-ethenyl-N,N-diethylpenta-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,N-diethylpenta-2,4-dienamide is sourced from PubChem (CID 91586528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).