N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide

C13H21NO — CID 12590284

IUPACN,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide
SMILESC=C=CC(C=C(C)C)C(=O)N(CC)CC
InChIInChI=1S/C13H21NO/c1-6-9-12(10-11(4)5)13(15)14(7-2)8-3/h9-10,12H,1,7-8H2,2-5H3
InChIKeyBUTDWKJFXQFFOV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds5

About N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide

N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide (PubChem CID 12590284) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide
PubChem CID12590284
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide
SMILESC=C=CC(C=C(C)C)C(=O)N(CC)CC
InChIInChI=1S/C13H21NO/c1-6-9-12(10-11(4)5)13(15)14(7-2)8-3/h9-10,12H,1,7-8H2,2-5H3
InChIKeyBUTDWKJFXQFFOV-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide?
The IUPAC name of N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide (CID 12590284) is N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide.
What is the SMILES notation for N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide?
The canonical SMILES for N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide is C=C=CC(C=C(C)C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide?
The InChIKey is BUTDWKJFXQFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-9-12(10-11(4)5)13(15)14(7-2)8-3/h9-10,12H,1,7-8H2,2-5H3.
What are the key properties of N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide?
N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide has a molecular weight of 207.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylprop-1-enyl)penta-3,4-dienamide is sourced from PubChem (CID 12590284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).