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

C11H17NO — CID 123324057

IUPACN,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide
SMILESC=CC=C(C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3
InChIKeyQCVKZGYZJJEXHU-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds3

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

N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide (PubChem CID 123324057) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide
PubChem CID123324057
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide
SMILESC=CC=C(C=C(C)C)C(=O)N(C)C
InChIInChI=1S/C11H17NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3
InChIKeyQCVKZGYZJJEXHU-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide?
The IUPAC name of N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide (CID 123324057) is N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide is C=CC=C(C=C(C)C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide?
The InChIKey is QCVKZGYZJJEXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-7-10(8-9(2)3)11(13)12(4)5/h6-8H,1H2,2-5H3.
What are the key properties of N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide?
N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylprop-1-enyl)penta-2,4-dienamide is sourced from PubChem (CID 123324057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).