N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide

C11H19NO — CID 137453428

IUPACN-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide
SMILESC=CCC=C(C)N(C)C(=O)C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-8-10(4)12(5)11(13)9(2)3/h6,8-9H,1,7H2,2-5H3
InChIKeyUYMWQFQVKZSHBZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.58
Rot. Bonds4

About N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide

N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide (PubChem CID 137453428) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide
PubChem CID137453428
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide
SMILESC=CCC=C(C)N(C)C(=O)C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-8-10(4)12(5)11(13)9(2)3/h6,8-9H,1,7H2,2-5H3
InChIKeyUYMWQFQVKZSHBZ-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.58
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-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide?
The IUPAC name of N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide (CID 137453428) is N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide.
What is the SMILES notation for N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide?
The canonical SMILES for N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide is C=CCC=C(C)N(C)C(=O)C(C)C.
What is the InChIKey of N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide?
The InChIKey is UYMWQFQVKZSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-8-10(4)12(5)11(13)9(2)3/h6,8-9H,1,7H2,2-5H3.
What are the key properties of N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide?
N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide has a molecular weight of 181.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,5-dien-2-yl-N,2-dimethylpropanamide is sourced from PubChem (CID 137453428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).