(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide

C10H16N2O — CID 163742888

IUPAC(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide
SMILESC=C(C)/C(=C\C=C\N(C)C)C(N)=O
InChIInChI=1S/C10H16N2O/c1-8(2)9(10(11)13)6-5-7-12(3)4/h5-7H,1H2,2-4H3,(H2,11,13)/b7-5+,9-6+
InChIKeyLJIBRGQWKFLXIB-PDTNFJSOSA-N
MW180.25 g/mol
LogP1.05
Rot. Bonds4

About (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide

(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide (PubChem CID 163742888) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide
PubChem CID163742888
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide
SMILESC=C(C)/C(=C\C=C\N(C)C)C(N)=O
InChIInChI=1S/C10H16N2O/c1-8(2)9(10(11)13)6-5-7-12(3)4/h5-7H,1H2,2-4H3,(H2,11,13)/b7-5+,9-6+
InChIKeyLJIBRGQWKFLXIB-PDTNFJSOSA-N
XLogP1.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

bis(4-hydroxybutyl) 2-[(E)-3-(dimethylamino)prop-2-enylidene]propanedioate
CID 88900920
2-methylprop-2-enamide;hydrate
CID 88749193
2-acetyl-5-(dimethylamino)penta-2,4-dienenitrile
CID 123475271
ethenol;2-methylprop-2-enamide
CID 87880771
methyl 2-acetyl-7-(dimethylamino)-4-methylhepta-2,4,6-trienoate
CID 76836198
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
(2E,4Z)-2-carbamoyl-5-(dimethylamino)-3-methylpenta-2,4-dienoic acid
CID 55255314
(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide
CID 142364005
2-[1-cyano-4-(dimethylamino)buta-1,3-dienyl]propanediamide;sulfuric acid
CID 175229067
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide (CID 163742888) is (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide is C=C(C)/C(=C\C=C\N(C)C)C(N)=O.
What is the InChIKey of (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide?
The InChIKey is LJIBRGQWKFLXIB-PDTNFJSOSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)9(10(11)13)6-5-7-12(3)4/h5-7H,1H2,2-4H3,(H2,11,13)/b7-5+,9-6+.
What are the key properties of (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide?
(2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide has a molecular weight of 180.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(dimethylamino)-2-prop-1-en-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 163742888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).