N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide

C11H19NO — CID 143202552

IUPACN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide
SMILESC/C=C\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-8-9(7-2)12-10(13)11(3,4)5/h6-8H,1-5H3,(H,12,13)/b8-6-,9-7+
InChIKeyKIJIUFVPVDADOH-MKKAVFGOSA-N
MW181.28 g/mol
LogP2.63
Rot. Bonds2

About N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide

N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide (PubChem CID 143202552) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide
PubChem CID143202552
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide
SMILESC/C=C\C(=C/C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-8-9(7-2)12-10(13)11(3,4)5/h6-8H,1-5H3,(H,12,13)/b8-6-,9-7+
InChIKeyKIJIUFVPVDADOH-MKKAVFGOSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 145422849
lithium N-(4-chlorobenzene-6-id-1-yl)-2,2-dimethylpropanamide
CID 134894963
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 141929066
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 144482461

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide (CID 143202552) is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide is C/C=C\C(=C/C)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide?
The InChIKey is KIJIUFVPVDADOH-MKKAVFGOSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-8-9(7-2)12-10(13)11(3,4)5/h6-8H,1-5H3,(H,12,13)/b8-6-,9-7+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide?
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide has a molecular weight of 181.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143202552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).