5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide

C14H15NO3 — CID 3065846

IUPAC5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
SMILESCN(C)C(=O)C=CC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15NO3/c1-15(2)14(16)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,10H2,1-2H3
InChIKeyHIAJIHWXNBJYOF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.07
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide

5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide (PubChem CID 3065846) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
PubChem CID3065846
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
SMILESCN(C)C(=O)C=CC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15NO3/c1-15(2)14(16)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,10H2,1-2H3
InChIKeyHIAJIHWXNBJYOF-UHFFFAOYSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)hepta-2,4,6-trienoic acid
CID 13001439
5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
CID 3054389
5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl chloride
CID 71404419
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-butyl-N-methylpenta-2,4-dienamide
CID 53302838
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-bis(2-chloroethyl)penta-2,4-dienamide
CID 88784314
5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 123527909
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 90335471
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-dicyclohexylpenta-2,4-dienamide
CID 88780505
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
CID 10244953
(1E,3E,6S,7E,9E)-1,10-bis(1,3-benzodioxol-5-yl)-6-hydroxydeca-1,3,7,9-tetraen-5-one
CID 98043226
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
CID 11471237

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide (CID 3065846) is 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide is CN(C)C(=O)C=CC=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide?
The InChIKey is HIAJIHWXNBJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15(2)14(16)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3-9H,10H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide?
5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide has a molecular weight of 245.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 3065846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).